Geometry & MOs

Info

ID:	38151
PubChem CID:	8027428
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	293.00514
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	3.3
IP(EA), eV:	-9.11(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations