Geometry & MOs

Info

ID:	233930
PubChem CID:	92252591
Reduced:	O3C7H11 (2)
Stoich.:	A3B7C11 (2)
Weight, g/mol:	286.141638
ΔH_f, kcal/mol:	-232.65
Dipole, Da:	1.74
IP(EA), eV:	-9.98(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1R,2R,6S,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)[C@@H](C=C)O)C

DOS

IR

Vibrations