Geometry & MOs

Info

ID:	261441
PubChem CID:	103234232
Reduced:	FNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	266.057053
ΔH_f, kcal/mol:	-107.53
Dipole, Da:	4.83
IP(EA), eV:	-8.53(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chloroanilino)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC/C(=C/CNC1=CC(=CC=C1)F)/C(=O)OC

DOS

IR

Vibrations