Geometry & MOs

Info

ID:

186628

PubChem CID:

77457109

Reduced:

FON8C30H31 (1)

Stoich.:

ABC8D30E31 (1)

Weight, g/mol:

535.174371

ΔHf, kcal/mol:

44.41

Dipole, Da:

5.95

IP(EA), eV:

 -8.92(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]ethylamino]-N-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC(=O)C2=C(N=CC(=C2)C#N)NCC3=CC=C(C=C3)C4=CN=C(C(=N4)CCCNC)N

DOS

IR

Vibrations