Geometry & MOs

Info

ID:	186625
PubChem CID:	77456428
Reduced:	FON8H19C22 (1)
Stoich.:	ABC8D19E22 (1)
Weight, g/mol:	397.160183
ΔH_f, kcal/mol:	52.98
Dipole, Da:	2.61
IP(EA), eV:	-8.87(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-difluorophenyl)ethyl]-2-[(2-hydroxy-1-phenylethyl)amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1C3=CC=CC=C3)C=C(C=C2)F)NC4=NC(=NC5=C4NC=N5)NC(=O)C

DOS

IR

Vibrations