Geometry & MOs

Info

ID:	396513
PubChem CID:	135028608
Reduced:	OC3H5 (2)
Stoich.:	AB3C5 (2)
Weight, g/mol:	376.180522
ΔH_f, kcal/mol:	-93.91
Dipole, Da:	2.53
IP(EA), eV:	-9.86(1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(3S,4R,7R,8R,11S)-3-[(E)-but-2-en-2-yl]-10-(chloromethyl)-4,6,8,11-tetramethyl-2-oxatricyclo[5.3.1.04,11]undeca-5,9-dien-8-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC2CCO[C@@H]1O2

DOS

IR

Vibrations