Geometry & MOs

Info

ID:	24278
PubChem CID:	609032
Reduced:	OCl2N2H8C12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	266.001368
ΔH_f, kcal/mol:	31.81
Dipole, Da:	2.65
IP(EA), eV:	-9.94(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dichlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C=CC(=O)N2C=CC=N2)Cl

DOS

IR

Vibrations