Geometry & MOs

Info

ID:	378093
PubChem CID:	134224164
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	642.278347
ΔH_f, kcal/mol:	73.56
Dipole, Da:	6.78
IP(EA), eV:	-8.34(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-1,1-diphenyl-3-[(Z)-prop-1-enyl]cyclopenta[c]carbazole

Drug info:

PubChemData

Smile

CCNC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations