Geometry & MOs

Info

ID:	51393
PubChem CID:	12014051
Reduced:	IOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	316.10379
ΔH_f, kcal/mol:	-38.53
Dipole, Da:	1.93
IP(EA), eV:	-9.79(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S)-3-bromo-2-hexyl-2-prop-2-enylcyclopropyl]methyl acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations