Geometry & MOs

Info

ID:	253521
PubChem CID:	103118977
Reduced:	FO2N3H10C15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	298.063282
ΔH_f, kcal/mol:	-14.24
Dipole, Da:	4.67
IP(EA), eV:	-9.94(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)CC(=O)C2=C3C=NC=CN3N=C2)F

DOS

IR

Vibrations