Geometry & MOs

Info

ID:	320029
PubChem CID:	126658006
Reduced:	ON2C12H21 (2)
Stoich.:	AB2C12D21 (2)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-99.16
Dipole, Da:	7.9
IP(EA), eV:	-8.75(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4aR,8aR)-7-methylidene-6-oxo-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C[C@H](C[C@H]2[C@H]1CC(=C)C(=O)C2)NC(=O)N(CC)CCN3CCCCCC3

DOS

IR

Vibrations