Geometry & MOs

Info

ID:

327081

PubChem CID:

126688968

Reduced:

O3F5N5C34H34 (1)

Stoich.:

A3B5C5D34E34 (1)

Weight, g/mol:

587.14665

ΔHf, kcal/mol:

-272.75

Dipole, Da:

5.22

IP(EA), eV:

 -9.43(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2,4-dichlorophenyl)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=C(C=CC(=C4)F)F)NCC5CC5

DOS

IR

Vibrations