Geometry & MOs

Info

ID:

321292

PubChem CID:

126665682

Reduced:

F3O4N5H34C37 (1)

Stoich.:

A3B4C5D34E37 (1)

Weight, g/mol:

516.188544

ΔHf, kcal/mol:

-164.36

Dipole, Da:

6.5

IP(EA), eV:

 -8.89(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[[cyclopropyl(methyl)amino]-pyridin-4-ylmethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)NCC4=CC(=CC=C4)NC(=O)C5=CC(=NN5C6=CC=CC(=C6)CNC(=O)O)C(F)(F)F

DOS

IR

Vibrations