Geometry & MOs

Info

ID:

316738

PubChem CID:

126631682

Reduced:

N8H64C91 (1)

Stoich.:

A8B64C91 (1)

Weight, g/mol:

1203.473693

ΔHf, kcal/mol:

437.73

Dipole, Da:

0.87

IP(EA), eV:

 -7.77(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N,4-N-diphenyl-2-N,4-N-bis(9-phenylcarbazol-3-yl)-6-[4-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC(=NC(=N3)N4C5=C(C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C84)N9C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C29)C2=C1C=C(C=C2)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21)C

DOS

IR

Vibrations