Geometry & MOs

Info

ID:	285200
PubChem CID:	104098615
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	232.107259
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	5.59
IP(EA), eV:	-9.64(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1(CC(CCO1)NCC2=CC=C(S2)[N+](=O)[O-])CC

DOS

IR

Vibrations