Geometry & MOs

Info

ID:	221982
PubChem CID:	85293153
Reduced:	O4C27H44 (1)
Stoich.:	A4B27C44 (1)
Weight, g/mol:	432.32396
ΔH_f, kcal/mol:	-226.4
Dipole, Da:	3.05
IP(EA), eV:	-8.85(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-hydroxy-6-(3-hydroxy-2-methylpropyl)-8,10,14-trimethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosan-7-one

Drug info:

PubChemData

Smile

CC(CCCC(C)(C)O)C1CCC2C1(C(CCC2=CC=C3CC(CC(C3=C)O)O)O)C

DOS

IR

Vibrations