Geometry & MOs

Info

ID:	361949
PubChem CID:	127304945
Reduced:	BrON3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	34.05
Dipole, Da:	5.87
IP(EA), eV:	-9.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2,3-dihydro-1H-inden-1-ylmethyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NN2)C(=O)NCC3CCC4=CC=CC=C34)Br

DOS

IR

Vibrations