Geometry & MOs

Info

ID:	127811
PubChem CID:	51016784
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-120.04
Dipole, Da:	2.4
IP(EA), eV:	-9.38(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8S,9R,13S)-8,11,11-trimethyl-4,14-dioxatetracyclo[6.5.1.02,6.09,13]tetradec-2(6)-en-3-one

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@@]1(C(=O)[C@H]2O)/C=C/O)C

DOS

IR

Vibrations