Geometry & MOs

Info

ID:	295748
PubChem CID:	117543594
Reduced:	O3H8C11 (1)
Stoich.:	A3B8C11 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	3.86
IP(EA), eV:	-8.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxy-4-methylphenyl)-3-methylcycloprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C1=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations