Geometry & MOs

Info

ID:

326772

PubChem CID:

126688176

Reduced:

ClF3O3N5C34H35 (1)

Stoich.:

AB3C3D5E34F35 (1)

Weight, g/mol:

551.174451

ΔHf, kcal/mol:

-191.11

Dipole, Da:

5.39

IP(EA), eV:

 -9.2(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(cyclopropylmethylamino)-(2,4-difluorophenyl)methyl]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=CC=CC(=C3)C(C4=CC=CC=C4Cl)NCC5CC5

DOS

IR

Vibrations