Geometry & MOs

Info

ID:

224089

PubChem CID:

85338088

Reduced:

BrON6C31H37 (1)

Stoich.:

ABC6D31E37 (1)

Weight, g/mol:

585.344568

ΔHf, kcal/mol:

30.25

Dipole, Da:

7.22

IP(EA), eV:

 -8.07(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(cyclopentylcarbamoyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4)C5=C(C=CC=C5Br)C(C)(C)C

DOS

IR

Vibrations