Geometry & MOs

Info

ID:	394007
PubChem CID:	135022163
Reduced:	Cl2O3H16C21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	354.021435
ΔH_f, kcal/mol:	-63.72
Dipole, Da:	1.21
IP(EA), eV:	-8.72(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-2-methylidene-1H-benzo[f]chromen-3-one

Drug info:

PubChemData

Smile

COC(=O)/C(=C/C1=C(C=C(C=C1)Cl)Cl)/COC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations