Geometry & MOs

Info

ID:	253584
PubChem CID:	103119397
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-93.26
Dipole, Da:	5.56
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[(2-methoxy-5-methylphenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)CC(=O)C(OC)OC

DOS

IR

Vibrations