Geometry & MOs

Info

ID:	441816
PubChem CID:	135245229
Reduced:	NH11C15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	652.262697
ΔH_f, kcal/mol:	135.11
Dipole, Da:	4.21
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC2=CC=CC=C12)C3=CC=C(C=C3)C4=NC5=CC=CC=C5N4C6=CC=CC=C6

DOS

IR

Vibrations