Geometry & MOs

Info

ID:

215057

PubChem CID:

85084068

Reduced:

O9N12C26H56 (1)

Stoich.:

A9B12C26D56 (1)

Weight, g/mol:

680.416238

ΔHf, kcal/mol:

-382.56

Dipole, Da:

5.75

IP(EA), eV:

 -8.97(0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,4-diethylphenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)OCCN(CCN=C(N)N)CCN=C(N)N)OC3C(CC(C(O3)CN)O)N)N

DOS

IR

Vibrations