Geometry & MOs

Info

ID:	285171
PubChem CID:	104098463
Reduced:	ON6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	223.062473
ΔH_f, kcal/mol:	50.17
Dipole, Da:	4.82
IP(EA), eV:	-9.24(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(triazol-1-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CN=C(C=C1)NCCN2C=CN=N2

DOS

IR

Vibrations