Geometry & MOs

Info

ID:	253917
PubChem CID:	103121488
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	292.117155
ΔH_f, kcal/mol:	-11.03
Dipole, Da:	6.81
IP(EA), eV:	-10.03(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[2-(2-methoxyphenoxy)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations