Geometry & MOs

Info

ID:

222893

PubChem CID:

85332949

Reduced:

O2N5H14C15 (2)

Stoich.:

A2B5C14D15 (2)

Weight, g/mol:

588.344234

ΔHf, kcal/mol:

46.29

Dipole, Da:

6.2

IP(EA), eV:

 -8.83(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[3-(4-chlorophenyl)-2-[(1-methyl-4-propan-2-ylpiperazine-2-carbonyl)amino]propanoyl]-4-cyclohexylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1C2=CC=C(C=C2)NC(=O)N3C(=O)C4C(C(NN4C5=CC=CC(=C5)C6=NN=C(O6)N)C#N)NC3=O

DOS

IR

Vibrations