Geometry & MOs

Info

ID:	170694
PubChem CID:	75268545
Reduced:	OH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	286.039672
ΔH_f, kcal/mol:	-27.53
Dipole, Da:	1.8
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloro-4-hydroxyphenyl)methylidene]chromen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C=C2COC3=CC=CC=C3C2=O)C

DOS

IR

Vibrations