Geometry & MOs

Info

ID:	195241
PubChem CID:	78663078
Reduced:	ClNO3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	356.163711
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	6.95
IP(EA), eV:	-8.86(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OC)C=C(C#N)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations