Geometry & MOs

Info

ID:	181405
PubChem CID:	76744063
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	420.220164
ΔH_f, kcal/mol:	-65.93
Dipole, Da:	0.86
IP(EA), eV:	-9.23(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-benzyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)-(3H-indol-6-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC1CCCC1)N2CC3=C4C(=NC=C3)CC=C4C2=O

DOS

IR

Vibrations