Geometry & MOs

Info

ID:	351190
PubChem CID:	127279748
Reduced:	BrO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	379.08954
ΔH_f, kcal/mol:	-7.87
Dipole, Da:	4.76
IP(EA), eV:	-8.37(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[1-(4-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C(=O)NC3CCN(C3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations