Geometry & MOs

Info

ID:	426394
PubChem CID:	135143801
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	676.262697
ΔH_f, kcal/mol:	-44.45
Dipole, Da:	4.84
IP(EA), eV:	-9.36(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-1-ylcarbazole

Drug info:

PubChemData

Smile

CCCCC1N(C(=O)C(N1C(=O)N(C)C2=CC=C(C=C2)C#N)C)C

DOS

IR

Vibrations