Geometry & MOs

Info

ID:	53090
PubChem CID:	14709546
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	236.08373
ΔH_f, kcal/mol:	-60.28
Dipole, Da:	2.56
IP(EA), eV:	-8.9(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)/C(=C/C1=CC=CC=C1)/COC2=CC=CC=C2

DOS

IR

Vibrations