Geometry & MOs

Info

ID:	16338
PubChem CID:	464794
Reduced:	OC9H10 (3)
Stoich.:	AB9C10 (3)
Weight, g/mol:	402.219495
ΔH_f, kcal/mol:	-84.96
Dipole, Da:	5.44
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-benzyl-2-hydroxy-3-(1-phenylpropyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-4-one

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C2=C(OC3=C(C2=O)CCCCCC3CC4=CC=CC=C4)O

DOS

IR

Vibrations