Geometry & MOs

Info

ID:	260373
PubChem CID:	103189283
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	6.01
IP(EA), eV:	-8.55(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(dimethylamino)propan-2-yl-ethylamino]-5-nitropyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C1=NC(=CN=C1)C(=O)OC)C(C)CN(C)C

DOS

IR

Vibrations