Geometry & MOs

Info

ID:	386543
PubChem CID:	134982083
Reduced:	OH20C30 (1)
Stoich.:	AB20C30 (1)
Weight, g/mol:	434.011264
ΔH_f, kcal/mol:	82.14
Dipole, Da:	3.4
IP(EA), eV:	-8.8(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 9,11-dichlorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10,12,14,19-decaene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C2=C(C3=CC=CC4=C3C2=CC=C4)C(=C1)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations