Geometry & MOs

Info

ID:	314732
PubChem CID:	126622901
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	325.079802
ΔH_f, kcal/mol:	-95.8
Dipole, Da:	4.81
IP(EA), eV:	-9.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-2-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]carbamoyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1C2=C(C=CC=C2OC1=O)CCCC

DOS

IR

Vibrations