Geometry & MOs

Info

ID:	64935
PubChem CID:	29204220
Reduced:	SO2F3N4H17C21 (1)
Stoich.:	AB2C3D4E17F21 (1)
Weight, g/mol:	368.163711
ΔH_f, kcal/mol:	-136.95
Dipole, Da:	2.97
IP(EA), eV:	-9.36(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC(=C1)C(F)(F)F)C2=NC(=CS2)/C=C/C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations