Geometry & MOs

Info

ID:

299745

PubChem CID:

117689132

Reduced:

N3O3C16H19 (1)

Stoich.:

A3B3C16D19 (1)

Weight, g/mol:

1488.652527

ΔHf, kcal/mol:

-47.57

Dipole, Da:

3.49

IP(EA), eV:

-9.15(-0.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-[6-[2-[C-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-N-hydroxycarbonimidoyl]phenoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]phenyl]methylidene]amino] acetate

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)OC[C@H]2C[C@@H]2C3=NC=C(C=C3)OC)CO

DOS

IR

Vibrations