Geometry & MOs

Info

ID:	319450
PubChem CID:	126656070
Reduced:	ClN2O3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	809.315461
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	6.33
IP(EA), eV:	-9.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)-3,4,7b,11a-tetrahydro-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

C[C@@H](C(C)[N+](=O)[O-])OCC1=CC(=NC=C1)Cl

DOS

IR

Vibrations