Geometry & MOs

Info

ID:	307648
PubChem CID:	125307911
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	259.016684
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	0.96
IP(EA), eV:	-9.43(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(2,4-dichlorophenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)[C@@H]2CC=CO2)C(=O)C(=O)C3=C4C=CC=CC4=NC3

DOS

IR

Vibrations