Geometry & MOs

Info

ID:

321376

PubChem CID:

126665918

Reduced:

O3F4N5C35H37 (1)

Stoich.:

A3B4C5D35E37 (1)

Weight, g/mol:

520.208611

ΔHf, kcal/mol:

-228.33

Dipole, Da:

6.54

IP(EA), eV:

 -9.45(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[[2-(cyclopropylmethoxy)phenyl]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=C(C=CC(=C3)C(CCC4CC4)(C5=CC=CC=C5)N)F

DOS

IR

Vibrations