Geometry & MOs

Info

ID:	209520
PubChem CID:	80682680
Reduced:	ON5C8H15 (1)
Stoich.:	AB5C8D15 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	1.26
Dipole, Da:	5.89
IP(EA), eV:	-9.51(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CNC(=O)CNCCC1=NN(C=N1)C

DOS

IR

Vibrations