Geometry & MOs

Info

ID:	127160
PubChem CID:	50993130
Reduced:	NSiO9C30H41 (1)
Stoich.:	ABC9D30E41 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-406.03
Dipole, Da:	4.37
IP(EA), eV:	-8.87(-0.64)
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-ene

Drug info:

PubChemData

Smile

CC1(C2C[C@@H]3CC[C@@]2(C=CC1=O)C(C3=O)(OC)OC)CCC(=O)NC4=C(C=CC(=C4O)C(=O)OCC[Si](C)(C)C)O

DOS

IR

Vibrations