Geometry & MOs

Info

ID:	402213
PubChem CID:	135054984
Reduced:	OC15H18 (1)
Stoich.:	AB15C18 (1)
Weight, g/mol:	317.177964
ΔH_f, kcal/mol:	-7.22
Dipole, Da:	2.38
IP(EA), eV:	-9.34(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,4R)-1-benzyl-3-benzylidene-4-[(E)-but-1-enyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC/C=C/[C@H]\1COC/C1=C\C2=CC=CC=C2

DOS

IR

Vibrations