Geometry & MOs

Info

ID:	20427
PubChem CID:	583877
Reduced:	O3C10H12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	1.5
IP(EA), eV:	-8.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[hydroxy(methoxy)methylidene]-4-methylcyclopenta-1,3-dien-1-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations