Geometry & MOs

Info

ID:	9132
PubChem CID:	86409
Reduced:	ClFNO4C15H17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	329.083014
ΔH_f, kcal/mol:	-214.31
Dipole, Da:	5.66
IP(EA), eV:	-9.46(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-fluoro-5-propan-2-yloxycarbonylphenyl) pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)OC(=O)N2CCCC2

DOS

IR

Vibrations