Geometry & MOs

Info

ID:	252294
PubChem CID:	103110326
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	259.11209
ΔH_f, kcal/mol:	25.53
Dipole, Da:	3.79
IP(EA), eV:	-8.99(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-3-fluoropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NC2=CC=CC=C2C(=C1)C#N

DOS

IR

Vibrations