Geometry & MOs

Info

ID:	251284
PubChem CID:	103102762
Reduced:	SN3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	268.080769
ΔH_f, kcal/mol:	34.98
Dipole, Da:	2.99
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-amino-2-oxoethyl)-ethylamino]-5-nitropyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CCN)CC1=NC=CS1

DOS

IR

Vibrations