Geometry & MOs

Info

ID:

319442

PubChem CID:

126656040

Reduced:

NO6C39H67 (1)

Stoich.:

AB6C39D67 (1)

Weight, g/mol:

894.466148

ΔHf, kcal/mol:

-376.61

Dipole, Da:

3.52

IP(EA), eV:

 -9.18(0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-4-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N-(3-methylphenyl)-4-N-phenylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCCCCOC5CC([C@H](O5)CO)O)C)C

DOS

IR

Vibrations