Geometry & MOs

Info

ID:	262427
PubChem CID:	103292839
Reduced:	ClN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	305.093104
ΔH_f, kcal/mol:	-2.85
Dipole, Da:	11.84
IP(EA), eV:	-9.25(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-6-methoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNC2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations