Geometry & MOs

Info

ID:

80598

PubChem CID:

49835416

Reduced:

NO6C26H43 (1)

Stoich.:

AB6C26D43 (1)

Weight, g/mol:

489.290389

ΔHf, kcal/mol:

-341.88

Dipole, Da:

8.6

IP(EA), eV:

 -10.24(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[4-fluoro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(CCC(=O)N[13CH2][13C](=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C

DOS

IR

Vibrations