Geometry & MOs

Info

ID:

321300

PubChem CID:

126665728

Reduced:

O3F4N5C34H35 (1)

Stoich.:

A3B4C5D34E35 (1)

Weight, g/mol:

534.224261

ΔHf, kcal/mol:

-221.82

Dipole, Da:

4.59

IP(EA), eV:

 -9.26(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(aminomethyl)phenyl]-N-[3-[2-cyclopropylethoxy(phenyl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-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=CC=C4)NCC5CC5)F

DOS

IR

Vibrations