Geometry & MOs

Info

ID:

47322

PubChem CID:

10531534

Reduced:

O3C19H21 (2)

Stoich.:

A3B19C21 (2)

Weight, g/mol:

595.279469

ΔHf, kcal/mol:

-171.98

Dipole, Da:

2.27

IP(EA), eV:

 -9.24(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl]oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

CCCC(=O)O[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations