Geometry & MOs

Info

ID:

316756

PubChem CID:

126631720

Reduced:

N9H91C135 (1)

Stoich.:

A9B91C135 (1)

Weight, g/mol:

1606.617898

ΔHf, kcal/mol:

640.07

Dipole, Da:

1.74

IP(EA), eV:

 -7.84(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[4,6-bis[3-[3-(dinaphthalen-1-ylamino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-N,N-dinaphthalen-1-ylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC(=C9)C1=NC(=NC(=N1)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)N(C2=CC=C(C=C2)C2=CC=CC=C2)C2=CC=C(C=C2)C2=CC=CC=C2)C2=CC=CC=C21)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)N(C2=CC=C(C=C2)C2=CC=CC=C2)C2=CC=C(C=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations