Geometry & MOs

Info

ID:	311419
PubChem CID:	126592371
Reduced:	FISN3O4C17H17 (1)
Stoich.:	ABCD3E4F17G17 (1)
Weight, g/mol:	833.351846
ΔH_f, kcal/mol:	-113.59
Dipole, Da:	2.79
IP(EA), eV:	-8.74(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

CN1C(=C(C2=C(C1=O)C=CS2)C(NOCCO)O)NC3=C(C=C(C=C3)I)F

DOS

IR

Vibrations