Geometry & MOs

Info

ID:

164565

PubChem CID:

74417461

Reduced:

OSN5C20H24 (1)

Stoich.:

ABC5D20E24 (1)

Weight, g/mol:

355.274939

ΔHf, kcal/mol:

67.18

Dipole, Da:

1.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755619

Charge, e:

 1

Chem-info

IUPAC name:

cyclopentyl-[3-[1-(2-phenylethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C[NH+]2CCCC2C(=O)NC3=CC=C(C=C3)C4=CSC=N4

DOS

IR

Vibrations