Geometry & MOs

Info

ID:

144007

PubChem CID:

53298788

Reduced:

NO6C20H27 (2)

Stoich.:

AB6C20D27 (2)

Weight, g/mol:

320.148455

ΔHf, kcal/mol:

-479.8

Dipole, Da:

2.67

IP(EA), eV:

 -8.17(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one

Drug info:

PubChemData

Smile

C[C@@H]1/C=C/C=C(/C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@@](O4)(O/C=C/[C@H]([C@H]([C@H]([C@H]([C@@H]([C@H]([C@@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN(C)C)\C

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IR

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