Geometry & MOs

Info

ID:	449430
PubChem CID:	135298538
Reduced:	SO3N5C34H41 (1)
Stoich.:	AB3C5D34E41 (1)
Weight, g/mol:	705.289246
ΔH_f, kcal/mol:	-3.41
Dipole, Da:	7.59
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-4-yl]-5-(4-phenylphenyl)quinazoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=NC(C(=C(N2)C3=CC=C(C=C3)C4=CC=CC=C4)C#N)NCCCOCCOCCOCCCN

DOS

IR

Vibrations