Geometry & MOs

Info

ID:	179815
PubChem CID:	76535255
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	446.127631
ΔH_f, kcal/mol:	-89.93
Dipole, Da:	3.01
IP(EA), eV:	-8.65(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-benzyl-4-(2-chlorophenyl)-4,5,9,12-tetrazatricyclo[7.4.0.02,6]tridecane-3,8-dione;hydrochloride

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2CC(C3=CC(=CC(=C3)O)O)O)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations