Geometry & MOs

Info

ID:	264574
PubChem CID:	103471095
Reduced:	ClSO3N5H8C11 (1)
Stoich.:	ABC3D5E8F11 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	70.37
Dipole, Da:	2.99
IP(EA), eV:	-9.06(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(dimethylamino)butylamino]-5-nitropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)SC2=C(C=C(C=N2)/C(=N\O)/N)[N+](=O)[O-])Cl

DOS

IR

Vibrations