Geometry & MOs

Info

ID:	328927
PubChem CID:	126729263
Reduced:	NH23C25 (1)
Stoich.:	AB23C25 (1)
Weight, g/mol:	531.194677
ΔH_f, kcal/mol:	76.45
Dipole, Da:	1.66
IP(EA), eV:	-8.11(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7,7-dimethylxantheno[5,6-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1CC=CC(C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N)C5=CC=CC=C5

DOS

IR

Vibrations