Geometry & MOs

Info

ID:	22170
PubChem CID:	596148
Reduced:	O2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	270.089209
ΔH_f, kcal/mol:	-27.19
Dipole, Da:	0.43
IP(EA), eV:	-10.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl tetracyclo[4.2.2.22,5.01,6]dodeca-3,7,9,11-tetraene-3,4-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2C=CC1C34C2(C=C3)C=C4)C(=O)OC

DOS

IR

Vibrations