Geometry & MOs

Info

ID:	291976
PubChem CID:	113999744
Reduced:	NOSC15H25 (1)
Stoich.:	ABCD15E25 (1)
Weight, g/mol:	271.099063
ΔH_f, kcal/mol:	-62.88
Dipole, Da:	3.31
IP(EA), eV:	-8.44(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(ethylamino)-3-nitropyridin-2-yl]sulfanylbutan-2-ol

Drug info:

PubChemData

Smile

CCCNCC1=CC(=C(C=C1)SC(C)C(C)O)C

DOS

IR

Vibrations