Geometry & MOs

Info

ID:	253591
PubChem CID:	103119429
Reduced:	N2O3H14C15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	280.072703
ΔH_f, kcal/mol:	-42.54
Dipole, Da:	6.95
IP(EA), eV:	-9.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations