Geometry & MOs

Info

ID:	272902
PubChem CID:	103764420
Reduced:	ClNO5C10H12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	267.104148
ΔH_f, kcal/mol:	-113.82
Dipole, Da:	4.61
IP(EA), eV:	-9.75(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-(2-methylsulfanylcyclopentyl)-5-nitropyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)OCCOCCO)[N+](=O)[O-]

DOS

IR

Vibrations