Geometry & MOs

Info

ID:	207364
PubChem CID:	80387411
Reduced:	NF2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	312.0022
ΔH_f, kcal/mol:	-179.65
Dipole, Da:	2.89
IP(EA), eV:	-9.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-fluorophenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)NC(=O)CC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations