Geometry & MOs

Info

ID:	55109
PubChem CID:	17389775
Reduced:	ClNC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	293.00514
ΔH_f, kcal/mol:	2.04
Dipole, Da:	2.45
IP(EA), eV:	-8.79(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromobenzoyl)-1-ethenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(NCC1)C2=CC=CC=C2Cl

DOS

IR

Vibrations