Geometry & MOs

Info

ID:	252275
PubChem CID:	103110215
Reduced:	N3O3C11H11 (1)
Stoich.:	A3B3C11D11 (1)
Weight, g/mol:	259.11209
ΔH_f, kcal/mol:	-7.22
Dipole, Da:	5.17
IP(EA), eV:	-10.26(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-5-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)CC#N

DOS

IR

Vibrations