Geometry & MOs

Info

ID:	395970
PubChem CID:	135027042
Reduced:	ON3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	417.195346
ΔH_f, kcal/mol:	60.84
Dipole, Da:	6.36
IP(EA), eV:	-9.06(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2-(6-methylpyridin-2-yl)ethyl]propanedinitrile

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CC(C2=CC=C(C=C2)OC)C(C#N)C#N

DOS

IR

Vibrations