Geometry & MOs

Info

ID:

186629

PubChem CID:

77457138

Reduced:

OF4N7H21C27 (1)

Stoich.:

AB4C7D21E27 (1)

Weight, g/mol:

538.260486

ΔHf, kcal/mol:

-101.86

Dipole, Da:

4.22

IP(EA), eV:

 -8.8(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-cyano-2-[[4-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenyl]methylamino]-N-[1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC3=C(NN=C3N=C2)N)NC4=C(C=C(C=N4)C(F)(F)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations