Geometry & MOs

Info

ID:	253947
PubChem CID:	103121767
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	233.091275
ΔH_f, kcal/mol:	-24.29
Dipole, Da:	6.17
IP(EA), eV:	-9.69(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(pyridin-3-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations