Geometry & MOs

Info

ID:

429585

PubChem CID:

135169634

Reduced:

O2N5H29C50 (1)

Stoich.:

A2B5C29D50 (1)

Weight, g/mol:

539.119668

ΔHf, kcal/mol:

225.98

Dipole, Da:

1.23

IP(EA), eV:

 -8.18(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[amino-(3-aminopyridin-2-yl)amino]-5-chloropyridin-3-yl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C4C5=CC=CC=C5OC4=CC=C3)C6=CC(=CC=C6)N7C8=CC9=CC=CC=C9C=C8C1=C7C2=C(C=C1)N=C(O2)C1=CC=CC=C1

DOS

IR

Vibrations