Geometry & MOs

Info

ID:	1283
PubChem CID:	4090
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-32.04
Dipole, Da:	2.32
IP(EA), eV:	-7.97(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl]carbamate

Drug info:

PubChemData

Smile

CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations