Geometry & MOs

Info

ID:	10019
PubChem CID:	96398
Reduced:	OC12H14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	174.104465
ΔH_f, kcal/mol:	-13.36
Dipole, Da:	3.58
IP(EA), eV:	-9.37(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-(3,4-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C2CC2)C

DOS

IR

Vibrations