Geometry & MOs

Info

ID:	47982
PubChem CID:	10536127
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-48.65
Dipole, Da:	3.41
IP(EA), eV:	-9.27(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-4,9-dimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2CCC(=O)CC2

DOS

IR

Vibrations