Geometry & MOs

Info

ID:	22383
PubChem CID:	597090
Reduced:	ClN3O3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	241.025419
ΔH_f, kcal/mol:	8.18
Dipole, Da:	2.5
IP(EA), eV:	-10.52(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-(methoxymethyl)-4-methyl-5-nitropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1[N+](=O)[O-])COC)Cl)C#N

DOS

IR

Vibrations