Geometry & MOs

Info

ID:	285269
PubChem CID:	104098912
Reduced:	ClON4C9H11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	48.78
Dipole, Da:	4.06
IP(EA), eV:	-9.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(triazol-1-yl)ethylamino]methyl]benzamide

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCNCC2=CC=C(O2)Cl

DOS

IR

Vibrations