Geometry & MOs

Info

ID:	295750
PubChem CID:	117543604
Reduced:	NOH9C12 (1)
Stoich.:	ABC9D12 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	60.3
Dipole, Da:	4.21
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C1=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations