Geometry & MOs

Info

ID:	295746
PubChem CID:	117543584
Reduced:	O2H10C11 (1)
Stoich.:	A2B10C11 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	4.17
Dipole, Da:	4.64
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(4-propan-2-ylphenyl)cycloprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C1=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations