Geometry & MOs

Info

ID:	178993
PubChem CID:	76415257
Reduced:	ClN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	379.163102
ΔH_f, kcal/mol:	-170.86
Dipole, Da:	4.32
IP(EA), eV:	-9.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1CC(CN1)OC(=O)C2=CC=NC=C2.Cl

DOS

IR

Vibrations