Geometry & MOs

Info

ID:	185083
PubChem CID:	77252115
Reduced:	NO2Cl3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	273.032334
ΔH_f, kcal/mol:	-113.21
Dipole, Da:	4.48
IP(EA), eV:	-9.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dichlorophenyl)-1-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC(C(C1)C(=O)O)C2=CC(=C(C=C2)Cl)Cl.Cl

DOS

IR

Vibrations