Geometry & MOs

Info

ID:	176261
PubChem CID:	76020814
Reduced:	OSeC14H18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-19.57
Dipole, Da:	2.52
IP(EA), eV:	-8.6(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-prop-2-enyl-5,7-dioxa-1-azatricyclo[7.3.0.02,6]dodecan-4-one

Drug info:

PubChemData

Smile

CCCCCC(=O)C=C[Se]C1=CC=CC=C1

DOS

IR

Vibrations