Geometry & MOs

Info

ID:	253564
PubChem CID:	103119272
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-54.13
Dipole, Da:	5.85
IP(EA), eV:	-9.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCC(=O)C(C1)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations