Geometry & MOs

Info

ID:	405622
PubChem CID:	135074685
Reduced:	PO7C24H33 (1)
Stoich.:	AB7C24D33 (1)
Weight, g/mol:	226.135765
ΔH_f, kcal/mol:	-327.92
Dipole, Da:	5.07
IP(EA), eV:	-9.49(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(prop-2-enyl)-1,4-dihydronaphthalen-2-one

Drug info:

PubChemData

Smile

CCOP(=O)([C@H]1CC(O[C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O)OCC

DOS

IR

Vibrations