Geometry & MOs

Info

ID:	179158
PubChem CID:	76443429
Reduced:	N2O4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	357.187484
ΔH_f, kcal/mol:	-118.71
Dipole, Da:	5.68
IP(EA), eV:	-9.43(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl)-N-sulfanylformamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C1=CC=CC=C1)(C(C2=CC=CC=C2)O)NC3CC4=CC=CC=C4CNC3=O

DOS

IR

Vibrations