Geometry & MOs

Info

ID:	170690
PubChem CID:	75268358
Reduced:	OCl2N3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	292.005785
ΔH_f, kcal/mol:	23.86
Dipole, Da:	7.72
IP(EA), eV:	-9.51(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-hydroxyphenyl)-1-(3-chlorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC2=C(C1NC3=CN=NC(=O)C3Cl)C=CC=C2Cl

DOS

IR

Vibrations