Geometry & MOs

Info

ID:	295747
PubChem CID:	117543587
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	188.047344
ΔH_f, kcal/mol:	25.18
Dipole, Da:	4.45
IP(EA), eV:	-9.11(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-3-methylcycloprop-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations