Geometry & MOs

Info

ID:

327382

PubChem CID:

126689757

Reduced:

O2N4F5H15C25 (1)

Stoich.:

A2B4C5D15E25 (1)

Weight, g/mol:

568.183459

ΔHf, kcal/mol:

-181.88

Dipole, Da:

3.4

IP(EA), eV:

 -9.32(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[4-[4-(aminomethyl)pyridin-2-yl]phenyl]-hydroxymethyl]phenyl]-2-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(C4=C(C=CC=C4F)F)O)C#N

DOS

IR

Vibrations