Geometry & MOs

Info

ID:	252679
PubChem CID:	103113204
Reduced:	N4O4C13H14 (1)
Stoich.:	A4B4C13D14 (1)
Weight, g/mol:	287.090606
ΔH_f, kcal/mol:	-51.06
Dipole, Da:	4.12
IP(EA), eV:	-10.05(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=NNC(=O)CC2

DOS

IR

Vibrations