Geometry & MOs

Info

ID:

186630

PubChem CID:

77457139

Reduced:

FON8C30H31 (1)

Stoich.:

ABC8D30E31 (1)

Weight, g/mol:

525.228851

ΔHf, kcal/mol:

56.5

Dipole, Da:

10.69

IP(EA), eV:

 -8.81(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[5-amino-6-(3-hydroxypropyl)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)NCCN(C)C

DOS

IR

Vibrations