Geometry & MOs

Info

ID:	295744
PubChem CID:	117543558
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	158.073165
ΔH_f, kcal/mol:	-116.19
Dipole, Da:	5.37
IP(EA), eV:	-9.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(2-methylphenyl)cycloprop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C(=O)C2CCCC(=O)C2)OC

DOS

IR

Vibrations