Geometry & MOs

Info

ID:

427782

PubChem CID:

135162768

Reduced:

N5H41C62 (1)

Stoich.:

A5B41C62 (1)

Weight, g/mol:

884.481798

ΔHf, kcal/mol:

310.1

Dipole, Da:

4.13

IP(EA), eV:

 -7.99(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-(3-methylcyclohexa-2,4-dien-1-yl)-1-N-(5-methylcyclohexa-1,5-dien-1-yl)-4-N-[4-[4-(N-[4-(3-methyl-N-(5-methylcyclohexa-1,5-dien-1-yl)anilino)phenyl]anilino)phenyl]phenyl]-4-N-phenylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC6=C(C7=CC=CC=C75)C8=C(C9=CC=CC=C96)N(C1=CC=CC=C18)C1=CC=C(C=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1

DOS

IR

Vibrations