Geometry & MOs

Info

ID:	407030
PubChem CID:	135079163
Reduced:	NOC20H23 (1)
Stoich.:	ABC20D23 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	43.46
Dipole, Da:	3.64
IP(EA), eV:	-8.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one

Drug info:

PubChemData

Smile

CC(=O)/C(=C/C1=CC=CC=C1N2CCCCC2)/C#CC3CC3

DOS

IR

Vibrations