Geometry & MOs

Info

ID:	12668
PubChem CID:	143238
Reduced:	OC17H20 (1)
Stoich.:	AB17C20 (1)
Weight, g/mol:	240.151415
ΔH_f, kcal/mol:	-16.0
Dipole, Da:	2.89
IP(EA), eV:	-9.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-di(propan-2-yl)benzo[7]annulen-7-one

Drug info:

PubChemData

Smile

CC(C)C1=CC2=CC=CC=C2C=C(C1=O)C(C)C

DOS

IR

Vibrations