Geometry & MOs

Info

ID:

321378

PubChem CID:

126665920

Reduced:

O3F4N4H18C26 (1)

Stoich.:

A3B4C4D18E26 (1)

Weight, g/mol:

559.255895

ΔHf, kcal/mol:

-174.42

Dipole, Da:

6.32

IP(EA), eV:

 -9.19(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-cyclopropyl-5-[[cyclopropyl(methyl)amino]-phenylmethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)O

DOS

IR

Vibrations