Geometry & MOs

Info

ID:	51394
PubChem CID:	12014053
Reduced:	BrO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	230.143743
ΔH_f, kcal/mol:	-100.83
Dipole, Da:	2.31
IP(EA), eV:	-10.05(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S)-3-chloro-2-hexyl-2-prop-2-enylcyclopropyl]methanol

Drug info:

PubChemData

Smile

CCCCCC[C@]1([C@@H]([C@@H]1Br)COC(=O)C)CC=C

DOS

IR

Vibrations