Geometry & MOs

Info

ID:	252885
PubChem CID:	103114783
Reduced:	ClN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	305.056719
ΔH_f, kcal/mol:	-2.93
Dipole, Da:	3.95
IP(EA), eV:	-10.28(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=CC(=NC=C2)Cl

DOS

IR

Vibrations