Geometry & MOs

Info

ID:	396479
PubChem CID:	135028545
Reduced:	ON3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	71.84
Dipole, Da:	2.79
IP(EA), eV:	-9.58(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=NC(=CN=C2)C3=CN=CC=C3

DOS

IR

Vibrations