Geometry & MOs

Info

ID:	51392
PubChem CID:	12014050
Reduced:	IO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	322.07936
ΔH_f, kcal/mol:	-84.85
Dipole, Da:	1.34
IP(EA), eV:	-9.95(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC[C@]1([C@H]([C@@H]1I)C(=O)OCC)CC=C

DOS

IR

Vibrations