Geometry & MOs

Info

ID:	221363
PubChem CID:	85271857
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	2.87
IP(EA), eV:	-9.95(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-3-methyl-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-one

Drug info:

PubChemData

Smile

CC(CC=C)(C(C=C)O)OCC=C

DOS

IR

Vibrations