Geometry & MOs

Info

ID:	386544
PubChem CID:	134982085
Reduced:	ClO2H6C12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	452.037085
ΔH_f, kcal/mol:	-44.2
Dipole, Da:	2.73
IP(EA), eV:	-9.35(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9,11-dichloro-3-phenylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7,9,11,13,15,19-decaene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C3C4=C(C=C2)C=C(C5=C(C=C6C=CC1=C3C6=C45)Cl)Cl)C(=O)OC

DOS

IR

Vibrations