Geometry & MOs

Info

ID:	127163
PubChem CID:	50993133
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	-111.69
Dipole, Da:	4.46
IP(EA), eV:	-9.78(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,8S)-10,10-dimethoxy-5-methyl-9-methylidene-5-prop-2-enyltricyclo[6.2.2.01,6]dodec-2-en-4-one

Drug info:

PubChemData

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C[C@H]1C2C[C@@H]3CC[C@@]2(C=CC1=O)C(C3=C)(OC)OC

DOS

IR

Vibrations