Geometry & MOs

Info

ID:	313967
PubChem CID:	126619219
Reduced:	ClN3O3C28H30 (1)
Stoich.:	AB3C3D28E30 (1)
Weight, g/mol:	818.528748
ΔH_f, kcal/mol:	-73.8
Dipole, Da:	1.82
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-decyl-3-[1-[6-[5-[1-(9-decylcarbazol-3-yl)ethenyl]pyridin-2-yl]pyridin-3-yl]ethenyl]carbazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=CN=C(N=C2CC13CCC3)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations