Geometry & MOs

Info

ID:	285204
PubChem CID:	104098642
Reduced:	O2N7C8H11 (1)
Stoich.:	A2B7C8D11 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	94.79
Dipole, Da:	6.75
IP(EA), eV:	-9.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NC(=C1NCCN2C=CN=N2)[N+](=O)[O-]

DOS

IR

Vibrations