Geometry & MOs

Info

ID:

432440

PubChem CID:

135172573

Reduced:

O3C22H28 (2)

Stoich.:

A3B22C28 (2)

Weight, g/mol:

569.196045

ΔHf, kcal/mol:

-252.5

Dipole, Da:

1.58

IP(EA), eV:

 -8.82(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC1CCC(=CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC(=CC(=C4)CCCOC(=O)C(C)(C)CO)CCCOC(=O)C(=C)CO

DOS

IR

Vibrations