Geometry & MOs

Info

ID:

321350

PubChem CID:

126665849

Reduced:

F4N5O6C36H37 (1)

Stoich.:

A4B5C6D36E37 (1)

Weight, g/mol:

516.188544

ΔHf, kcal/mol:

-342.74

Dipole, Da:

9.6

IP(EA), eV:

 -9.09(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(cyclopropylmethylamino)-pyridin-3-ylmethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(C4=CC=C(C=C4)OC)N(CC5CC5)C(=O)O)F

DOS

IR

Vibrations