Geometry & MOs

Info

ID:	328811
PubChem CID:	126728012
Reduced:	BrNH24C30 (1)
Stoich.:	ABC24D30 (1)
Weight, g/mol:	628.262697
ΔH_f, kcal/mol:	118.85
Dipole, Da:	2.94
IP(EA), eV:	-8.23(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C/C(=C\C(=C/CBr)\C1=CC=CC=C1)/C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations