Geometry & MOs

Info

ID:	53377
PubChem CID:	14710842
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-13.19
Dipole, Da:	1.15
IP(EA), eV:	-8.81(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,5R,6R,11R)-5,11-dimethylbicyclo[4.4.1]undeca-3,7,9-triene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC[C@H]2C=CC=C[C@@H](C1)[C@H]2OC

DOS

IR

Vibrations