Geometry & MOs

Info

ID:

328755

PubChem CID:

126727389

Reduced:

N3H49C57 (1)

Stoich.:

A3B49C57 (1)

Weight, g/mol:

697.255169

ΔHf, kcal/mol:

269.06

Dipole, Da:

1.04

IP(EA), eV:

 -7.78(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine

Drug info:

PubChemData

Smile

CC1CC(=CC=C1C2=CC=CC=C2)N(C3=CC=C(C=C3)C)C4=CC=CC5C4C6=CC=CC=C6N5C7=CC=C(C=C7)N(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C1=CC=CC=C1

DOS

IR

Vibrations