Geometry & MOs

Info

ID:

321325

PubChem CID:

126665806

Reduced:

OF4N7H25C30 (1)

Stoich.:

AB4C7D25E30 (1)

Weight, g/mol:

603.206894

ΔHf, kcal/mol:

-72.48

Dipole, Da:

5.17

IP(EA), eV:

 -9.37(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC=CC=C2)C3=CC(=C(C=C3)F)NC(=O)C4=CC(=NN4C5=CC6=C(C=C5)N=CN=C6N)C(F)(F)F

DOS

IR

Vibrations