Geometry & MOs

Info

ID:	163362
PubChem CID:	57842415
Reduced:	N5O5C34H49 (1)
Stoich.:	A5B5C34D49 (1)
Weight, g/mol:	493.272927
ΔH_f, kcal/mol:	-197.6
Dipole, Da:	6.78
IP(EA), eV:	-9.34(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-2-[(3aR,4R,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-2-methylbenzamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1C2C(C2(C)C)CN1C(=O)[C@H](C3CC4=CC=CC=C4C3)NC(=O)N(C)C(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1C2C(C2(C)C)CN1C(=O)[C@H](C3CC4=CC=CC=C4C3)NC(=O)N(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):