Geometry & MOs

Info

ID:	21193
PubChem CID:	587595
Reduced:	O4C27H42 (1)
Stoich.:	A4B27C42 (1)
Weight, g/mol:	430.30831
ΔH_f, kcal/mol:	-188.32
Dipole, Da:	6.57
IP(EA), eV:	-8.4(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16,20-diol

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4C(C=C6C5(CCC(C6)O)C)O)C)C)OC1

DOS

IR

Vibrations