Geometry & MOs

Info

ID:	51391
PubChem CID:	12014049
Reduced:	BO2H29C31 (1)
Stoich.:	AB2C29D31 (1)
Weight, g/mol:	364.08993
ΔH_f, kcal/mol:	-66.17
Dipole, Da:	3.23
IP(EA), eV:	-8.67(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2R,3S)-2-hexyl-3-iodo-2-prop-2-enylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=CC=CC=C4C3(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations