Geometry & MOs

Info

ID:	271947
PubChem CID:	103704555
Reduced:	SN2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	269.119798
ΔH_f, kcal/mol:	63.88
Dipole, Da:	6.39
IP(EA), eV:	-8.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-2-methylsulfanylbutyl)-3-nitropyridin-4-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC2=C3C(=C(SC3=NC=N2)C)C

DOS

IR

Vibrations