Geometry & MOs

Info

ID:

441977

PubChem CID:

135247318

Reduced:

N4H38C57 (1)

Stoich.:

A4B38C57 (1)

Weight, g/mol:

679.298748

ΔHf, kcal/mol:

341.62

Dipole, Da:

3.05

IP(EA), eV:

 -7.73(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexa-1,3-dien-1-yl-4-[1-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]-6-phenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1CC=C2C=CC(=C(C2=C1)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C9=CC=C2

DOS

IR

Vibrations