Geometry & MOs

Info

ID:

309302

PubChem CID:

126543655

Reduced:

N3H35C48 (1)

Stoich.:

A3B35C48 (1)

Weight, g/mol:

703.298748

ΔHf, kcal/mol:

203.94

Dipole, Da:

1.04

IP(EA), eV:

 -8.1(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3-[(1Z)-buta-1,3-dienyl]-1,1-diphenylinden-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=NC(=CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9C

DOS

IR

Vibrations