Geometry & MOs

Info

ID:	246053
PubChem CID:	103040150
Reduced:	ClFNC17H25 (1)
Stoich.:	ABCD17E25 (1)
Weight, g/mol:	284.047631
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	5.33
IP(EA), eV:	-8.96(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-fluorophenyl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

Drug info:

PubChemData

Smile

CCC1CCC(C1)C(CC2=CC(=C(C=C2)F)Cl)NCC

DOS

IR

Vibrations