Geometry & MOs

Info

ID:

186627

PubChem CID:

77457108

Reduced:

FO2N7C30H30 (1)

Stoich.:

AB2C7D30E30 (1)

Weight, g/mol:

538.260486

ΔHf, kcal/mol:

3.2

Dipole, Da:

9.2

IP(EA), eV:

 -8.99(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[5-amino-6-[3-(methylamino)propyl]pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[1-(4-fluorophenyl)ethyl]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)CCCOC)N

DOS

IR

Vibrations