Geometry & MOs

Info

ID:	218110
PubChem CID:	85088897
Reduced:	O3C28H46 (1)
Stoich.:	A3B28C46 (1)
Weight, g/mol:	430.381081
ΔH_f, kcal/mol:	-185.0
Dipole, Da:	1.4
IP(EA), eV:	-8.69(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,6,15-tetramethyl-14-(6-methylheptan-2-yl)pentacyclo[8.7.0.02,7.03,7.011,15]heptadecane-5,9-diol

Drug info:

PubChemData

Smile

CC(CCC(C)(C(C)(C)C)O)C1CCC2C1CCCC2=CC=C3CC(CC(C3=C)O)O

DOS

IR

Vibrations