Geometry & MOs

Info

ID:

185179

PubChem CID:

77266121

Reduced:

NPO9C50H91 (1)

Stoich.:

ABC9D50E91 (1)

Weight, g/mol:

567.274296

ΔHf, kcal/mol:

-422.86

Dipole, Da:

8.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.940767

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-cyclopropylpropyl)-N-(2-methylpropyl)-N-[5-(morpholine-4-carbonyl)piperidin-3-yl]benzimidazole-2-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)OC(C(COP(=O)(O)OCC[N+](C)(C)C)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)C(=O)O

DOS

IR

Vibrations