Geometry & MOs

Info

ID:

323219

PubChem CID:

126673708

Reduced:

NO11C41H69 (1)

Stoich.:

AB11C41D69 (1)

Weight, g/mol:

330.101417

ΔHf, kcal/mol:

-475.33

Dipole, Da:

6.46

IP(EA), eV:

 -8.21(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

CC[C@@H](CCC[C@@H]([C@@H](C)C(=O)C1=C[C@H]2[C@@H]3C[C@@H](C[C@H]3C4C([C@H]2[C@@H]1CO)O4)O[C@H]5C(C([C@H](C(O5)C)OC)OC)OC)O[C@H]6CC[C@@H](C(O6)C)N(C)C)OC

DOS

IR

Vibrations