Geometry & MOs

Info

ID:

187028

PubChem CID:

77520862

Reduced:

O3C20H40 (1)

Stoich.:

A3B20C40 (1)

Weight, g/mol:

671.379518

ΔHf, kcal/mol:

-153.17

Dipole, Da:

6.41

IP(EA), eV:

 -10.08(0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-3-(7-methyl-3H-benzimidazol-5-yl)-1-oxobutan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)O.CCC(CCC=C)O.CC=C.CC=C.CC=C

DOS

IR

Vibrations