Geometry & MOs

Info

ID:	18354
PubChem CID:	539806
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-63.43
Dipole, Da:	5.25
IP(EA), eV:	-9.82(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-propan-2-yl-1,4,5,6,7,7a-hexahydroinden-2-one

Drug info:

PubChemData

Smile

CC1CCC(C2C1=CC(=O)C2)C(C)C

DOS

IR

Vibrations