Geometry & MOs

Info

ID:

84184

PubChem CID:

49864830

Reduced:

N5O11C51H77 (1)

Stoich.:

A5B11C51D77 (1)

Weight, g/mol:

419.232125

ΔHf, kcal/mol:

-530.17

Dipole, Da:

9.41

IP(EA), eV:

 -9.93(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CC(C)(C)C(=O)OC[C@]34CC[C@H]([C@@H]3[C@H]5CC[C@@H]6[C@]7(CC[C@@H](C([C@@H]7CC[C@]6([C@@]5(CC4)C)C)(C)C)OC(=O)CCCC(=O)O)C)C(C)C)N=[N+]=[N-]

DOS

IR

Vibrations