Geometry & MOs

Info

ID:	127161
PubChem CID:	50993131
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-77.86
Dipole, Da:	0.38
IP(EA), eV:	-9.38(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8S)-10,10-dimethoxy-9-methylidenetricyclo[6.2.2.01,6]dodec-2-en-4-one

Drug info:

PubChemData

Smile

COC1(C(=C)[C@H]2CC[C@@]13C=CCCC3C2)OC

DOS

IR

Vibrations