Geometry & MOs

Info

ID:

429644

PubChem CID:

135169693

Reduced:

F2N7H25C26 (1)

Stoich.:

A2B7C25D26 (1)

Weight, g/mol:

545.130233

ΔHf, kcal/mol:

89.52

Dipole, Da:

4.68

IP(EA), eV:

 -8.86(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-1-[4,5-dimethyl-6-(5-oxopyrrolidin-2-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2N=CC=N2)NC(=C)/C(=C(\C(C)(F)F)/N(C)C3=CC=CC4=C3C=CN=C4)/C=C

DOS

IR

Vibrations