Geometry & MOs

Info

ID:	16337
PubChem CID:	464793
Reduced:	O3C21H26 (1)
Stoich.:	A3B21C26 (1)
Weight, g/mol:	326.188195
ΔH_f, kcal/mol:	-111.12
Dipole, Da:	5.73
IP(EA), eV:	-9.06(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-10-methyl-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)CCCCCC3C)O

DOS

IR

Vibrations