Geometry & MOs

Info

ID:	311854
PubChem CID:	126598408
Reduced:	BrNC21H24 (1)
Stoich.:	ABC21D24 (1)
Weight, g/mol:	598.309647
ΔH_f, kcal/mol:	15.55
Dipole, Da:	2.78
IP(EA), eV:	-8.25(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(C=C2)NC4=C3C=C(C=C4)Br)C(C1(C)C)(C)C)C

DOS

IR

Vibrations