Geometry & MOs

Info

ID:	314943
PubChem CID:	126623996
Reduced:	FO3N4H13C16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	284.06403
ΔH_f, kcal/mol:	-70.21
Dipole, Da:	5.57
IP(EA), eV:	-8.7(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-fluorophenyl)-5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)NC3=CC(=CN=C3)F)CC(=O)O

DOS

IR

Vibrations