Geometry & MOs

Info

ID:	191542
PubChem CID:	78161961
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	-94.85
Dipole, Da:	6.78
IP(EA), eV:	-8.67(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CC23C(C1N)CC(=O)N2CCC4=CC(=C(C=C34)OC)OC

DOS

IR

Vibrations