Geometry & MOs

Info

ID:	160222
PubChem CID:	57309568
Reduced:	O3C18H28 (1)
Stoich.:	A3B18C28 (1)
Weight, g/mol:	600.356323
ΔH_f, kcal/mol:	-162.3
Dipole, Da:	3.81
IP(EA), eV:	-9.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,4aR,7R,7aR,12bS)-9-methoxy-3-(2-oxopropyl)-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-6-oxo-N-pentyl-6-phenylhexanamide

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

CCCCC(C)(C)C(=O)C=C[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)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

CCCCC(C)(C)C(=O)C=C[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):