Geometry & MOs

Info

ID:	12094
PubChem CID:	129996
Reduced:	O3C15H26 (1)
Stoich.:	A3B15C26 (1)
Weight, g/mol:	254.188195
ΔH_f, kcal/mol:	-79.93
Dipole, Da:	1.54
IP(EA), eV:	-9.5(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,8S)-8-hydroperoxy-1-methyl-7-methylidene-4-propan-2-ylcyclodec-2-en-1-ol

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCC(=C)[C@H](CC[C@@](C=C1)(C)O)OO

DOS

IR

Vibrations