Geometry & MOs

Info

ID:	433061
PubChem CID:	135173198
Reduced:	OC16H24 (1)
Stoich.:	AB16C24 (1)
Weight, g/mol:	230.167065
ΔH_f, kcal/mol:	-50.13
Dipole, Da:	1.51
IP(EA), eV:	-9.2(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3,3-di(propan-2-yl)-2H-inden-1-one

Drug info:

PubChemData

Smile

CC(C)C1(COCC2=CC=CC=C21)C(C)(C)C

DOS

IR

Vibrations