Geometry & MOs

Info

ID:	355048
PubChem CID:	127287909
Reduced:	BrN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	1.22
IP(EA), eV:	-9.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(C2=CC=C(C=C2)Br)NC(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations