Geometry & MOs

Info

ID:	276718
PubChem CID:	103824788
Reduced:	BrClON2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	240.021417
ΔH_f, kcal/mol:	-32.13
Dipole, Da:	5.87
IP(EA), eV:	-9.0(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-fluorophenyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)NC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations