Geometry & MOs

Info

ID:	441824
PubChem CID:	135245395
Reduced:	BrN3H22C29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	552.195011
ΔH_f, kcal/mol:	141.25
Dipole, Da:	2.03
IP(EA), eV:	-8.51(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=CC=CC=C2C(=C1Br)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations