Geometry & MOs

Info

ID:	81255
PubChem CID:	49854514
Reduced:	O3N4H16C22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	-25.75
Dipole, Da:	4.58
IP(EA), eV:	-9.56(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethyl]-8,13-diphenyl-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3(7),8-triene-6,10,12-trione

Drug info:

PubChemData

Smile

CN1CC2=C(C1=O)C(=C3C(=O)NC(=O)N(C3=N2)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations