Geometry & MOs

Info

ID:	144775
PubChem CID:	53411125
Reduced:	FO2H9C13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-43.23
Dipole, Da:	2.95
IP(EA), eV:	-9.6(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C=CC2=CC(=CO2)F

DOS

IR

Vibrations