Geometry & MOs

Info

ID:	291788
PubChem CID:	113499470
Reduced:	ClSN2O3C11H17 (1)
Stoich.:	ABC2D3E11F17 (1)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	-120.85
Dipole, Da:	6.62
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-imidazol-2-yl)propyl]-6-nitropyridin-3-amine

Drug info:

PubChemData

Smile

CC(CCN(C)S(=O)(=O)C1=C(C=CC(=C1)N)Cl)O

DOS

IR

Vibrations