Geometry & MOs

Info

ID:	189535
PubChem CID:	77868928
Reduced:	O6C35H54 (1)
Stoich.:	A6B35C54 (1)
Weight, g/mol:	420.214803
ΔH_f, kcal/mol:	-277.9
Dipole, Da:	4.13
IP(EA), eV:	-7.99(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-9-(2-hydroxypropan-2-yloxy)-16,18-dimethoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one

Drug info:

PubChemData

Smile

CCCCOC1=CC2=C(CCC(O2)C3=CC(=C(C(=C3)OCCCC)OCCCC)OCCCC)C(=C1)OCCCC

DOS

IR

Vibrations