Geometry & MOs

Info

ID:	127162
PubChem CID:	50993132
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	4.64
IP(EA), eV:	-9.87(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1(C(=C)[C@H]2CC[C@@]13C=CC(=O)CC3C2)OC

DOS

IR

Vibrations