Geometry & MOs

Info

ID:	224978
PubChem CID:	85735269
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	446.303224
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	2.64
IP(EA), eV:	-8.81(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3'-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCC2C=CCCCO2

DOS

IR

Vibrations