Geometry & MOs

Info

ID:

164559

PubChem CID:

74416217

Reduced:

FO2N4C17H24 (1)

Stoich.:

AB2C4D17E24 (1)

Weight, g/mol:

367.193415

ΔHf, kcal/mol:

-81.03

Dipole, Da:

7.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754163

Charge, e:

 1

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]acetamide

Drug info:

PubChemData

Smile

C[NH+]1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations