Geometry & MOs

Info

ID:	441828
PubChem CID:	135245513
Reduced:	N4H28C35 (1)
Stoich.:	A4B28C35 (1)
Weight, g/mol:	602.210661
ΔH_f, kcal/mol:	198.12
Dipole, Da:	3.2
IP(EA), eV:	-8.06(-0.39)
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]naphthalen-1-yl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1C=CC2=C3C1C4=C(N3C5=CC=CC=C25)C=C(C=C4)C(=C)N=C(C6=CC=CC=C6)N=C(C7=CC=CC=C7)N

DOS

IR

Vibrations