Geometry & MOs

Info

ID:	181671
PubChem CID:	76773547
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	324.012013
ΔH_f, kcal/mol:	-62.8
Dipole, Da:	2.1
IP(EA), eV:	-8.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dichlorophenyl)-4-(4-fluoro-3-hydroxyphenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

CN1C=NC=C1COC2=CC=CC(=C2)CC(=O)C=CC3=CC(=C(C=C3)OC)O

DOS

IR

Vibrations