Geometry & MOs

Info

ID:	238951
PubChem CID:	93165767
Reduced:	BrN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	328.097855
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	3.99
IP(EA), eV:	-9.38(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-benzoyl-N-(4-chlorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations