Geometry & MOs

Info

ID:

307381

PubChem CID:

125299742

Reduced:

N4O11C43H58 (1)

Stoich.:

A4B11C43D58 (1)

Weight, g/mol:

418.164105

ΔHf, kcal/mol:

-379.76

Dipole, Da:

6.79

IP(EA), eV:

 -7.86(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-phenyl-4H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]\1C[C@@H]([C@@H]([C@@H]([C@H]([C@H]([C@@H](/C=C\O[C@@]2(C(=O)C3=C(O2)C(=C(C4=C3C(=O)C(=CNN5CCN(CC5)C)C(=C4O)NC(=O)/C(=C\C=C1)/C)O)C)C)OC)C)OC(=O)C)C)O)C

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IR

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