Geometry & MOs

Info

ID:	189416
PubChem CID:	77853162
Reduced:	ClO2N3C21H34 (1)
Stoich.:	AB2C3D21E34 (1)
Weight, g/mol:	398.147786
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	3.01
IP(EA), eV:	-8.38(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-carboxy-4-phenylpyrrolidine-1-carbonyl)-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCOC)CC1CN(CC1CO)C2CCN(CC2)C3=CC=CC=C3Cl

DOS

IR

Vibrations