Geometry & MOs

Info

ID:

321240

PubChem CID:

126665580

Reduced:

ClO3F4N5H26C31 (1)

Stoich.:

AB3C4D5E26F31 (1)

Weight, g/mol:

727.277025

ΔHf, kcal/mol:

-217.59

Dipole, Da:

5.97

IP(EA), eV:

 -9.64(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[2,5-bis(phenylmethoxy)phenyl]-(cyclopropylmethylamino)methyl]phenyl]-2-(3-cyanophenyl)-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(C4=CC=CC(=C4)C#N)Cl)F

DOS

IR

Vibrations