Geometry & MOs

Info

ID:	253527
PubChem CID:	103119022
Reduced:	FO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	314.033731
ΔH_f, kcal/mol:	-56.27
Dipole, Da:	5.29
IP(EA), eV:	-10.03(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=C(N=N2)C(=O)O)CCN)F

DOS

IR

Vibrations