Geometry & MOs

Info

ID:	53088
PubChem CID:	14709544
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	174.06808
ΔH_f, kcal/mol:	-101.55
Dipole, Da:	1.85
IP(EA), eV:	-8.89(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-methylidene-4H-chromen-2-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C)/COC1=CC=CC=C1

DOS

IR

Vibrations