Geometry & MOs

Info

ID:

242703

PubChem CID:

98458018

Reduced:

ClN3O4C28H36 (1)

Stoich.:

AB3C4D28E36 (1)

Weight, g/mol:

561.215138

ΔHf, kcal/mol:

-161.8

Dipole, Da:

7.12

IP(EA), eV:

 -8.7(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-(2,4-dimethoxyphenyl)-1-[6-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-9-methylcarbazol-3-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCN1[C@H]([C@]23C=C[C@H](O2)[C@@H]([C@@H]3C1=O)C(=O)NC4=CC(=C(C=C4)C)Cl)C(=O)N[C@@H]5CCC[C@@H]([C@@H]5C)C

DOS

IR

Vibrations