Geometry & MOs

Info

ID:	429852
PubChem CID:	135169905
Reduced:	ON4F6H14C21 (1)
Stoich.:	AB4C6D14E21 (1)
Weight, g/mol:	228.021417
ΔH_f, kcal/mol:	-254.29
Dipole, Da:	10.97
IP(EA), eV:	-9.27(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-5-fluoro-4-nitrosophenyl)-1,3-dihydrotriazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N=C(/C(=C\N)/C(=O)NC3=CC(=NC=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations