Geometry & MOs

Info

ID:	327565
PubChem CID:	126690352
Reduced:	BrCl2O3N6C27H35 (1)
Stoich.:	AB2C3D6E27F35 (1)
Weight, g/mol:	731.304896
ΔH_f, kcal/mol:	-51.61
Dipole, Da:	2.5
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine

Drug info:

PubChemData

Smile

CCCC/C=C(\C1=C(C(=NCN1C)NCCCN2C=CN=C2)C)/C(=O)NC3=C(C(=C(C(=C3Cl)OC)Br)OC)Cl

DOS

IR

Vibrations