Geometry & MOs

Info

ID:	285172
PubChem CID:	104098466
Reduced:	ClN5C9H10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	234.086524
ΔH_f, kcal/mol:	83.12
Dipole, Da:	3.92
IP(EA), eV:	-9.11(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Cl)NCCN2C=CN=N2

DOS

IR

Vibrations