Geometry & MOs

Info

ID:	200212
PubChem CID:	79362938
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	285.056799
ΔH_f, kcal/mol:	-33.06
Dipole, Da:	4.71
IP(EA), eV:	-8.55(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-6-fluorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)CNC(=O)C2=CC3=C(C=C2)NCC3)C

DOS

IR

Vibrations