Geometry & MOs

Info

ID:	218900
PubChem CID:	85090134
Reduced:	O6H32C33 (1)
Stoich.:	A6B32C33 (1)
Weight, g/mol:	523.996137
ΔH_f, kcal/mol:	-169.89
Dipole, Da:	8.07
IP(EA), eV:	-9.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5,6,15-pentachloro-10,12-diphenyl-10,11-diazapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9(13),11-diene

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CCC(C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)O

DOS

IR

Vibrations