Geometry & MOs

Info

ID:	405108
PubChem CID:	135072532
Reduced:	O2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	304.005785
ΔH_f, kcal/mol:	-104.79
Dipole, Da:	3.03
IP(EA), eV:	-8.39(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dichlorophenyl)methyl]chromen-4-one

Drug info:

PubChemData

Smile

COC1=CC(=O)C(CC1)(CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations