Geometry & MOs

Info

ID:	386893
PubChem CID:	134983281
Reduced:	OC12H15 (4)
Stoich.:	AB12C15 (4)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	69.82
Dipole, Da:	0.47
IP(EA), eV:	-7.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5Z,9R)-2,9-bis(ethenyl)-9-methoxy-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxonine

Drug info:

PubChemData

Smile

CCOCCC1=C2CC3=CC/4=CC(=C3CCOCC)CC5=C(C(=CC(=C5)C)CC6=C(C(=CC(=C6)/C=C4)CC1=CC(=C2)C)CCOCC)CCOCC

DOS

IR

Vibrations