Geometry & MOs

Info

ID:	394008
PubChem CID:	135022164
Reduced:	ClOH6C10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	364.00989
ΔH_f, kcal/mol:	-13.21
Dipole, Da:	3.67
IP(EA), eV:	-9.1(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-2-methylidene-1H-benzo[f]chromen-3-one

Drug info:

PubChemData

Smile

C=C1C(C2=C(C=CC3=CC=CC=C32)OC1=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations