Geometry & MOs

Info

ID:	402772
PubChem CID:	135057195
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-163.41
Dipole, Da:	2.25
IP(EA), eV:	-9.4(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzyl-4-methylidene-5-oxopyrrolidin-3-yl)acetaldehyde

Drug info:

PubChemData

Smile

CCCC/C=C(\C)/CC(C(=O)OCC)O

DOS

IR

Vibrations