Geometry & MOs

Info

ID:	393642
PubChem CID:	135021337
Reduced:	OC18H22 (1)
Stoich.:	AB18C22 (1)
Weight, g/mol:	302.115424
ΔH_f, kcal/mol:	-45.23
Dipole, Da:	2.7
IP(EA), eV:	-9.14(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,9R)-1-ethenyl-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11,11-dicarboxylate

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC4=CC=CC=C34

DOS

IR

Vibrations