Geometry & MOs

Info

ID:	403753
PubChem CID:	135061656
Reduced:	OC22H30 (1)
Stoich.:	AB22C30 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-45.79
Dipole, Da:	1.54
IP(EA), eV:	-8.53(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=C(C=C(C=C2C(C)(C)C)C)C(C)(C)C

DOS

IR

Vibrations