Geometry & MOs

Info

ID:

433078

PubChem CID:

135173215

Reduced:

O9C30H43 (2)

Stoich.:

A9B30C43 (2)

Weight, g/mol:

407.19574

ΔHf, kcal/mol:

-632.74

Dipole, Da:

4.0

IP(EA), eV:

 -9.87(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-[5-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidin-2-yl]piperidin-4-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CC2C(O2)CC1COC(=O)CCCCC(=O)OCC3CC(C4C(C3)O4)C5CC(CC6C5O6)C(=O)OCCCCCC(=O)OCC7CC(C8C(C7)O8)C91CC(CC(C9)O1)COC(=O)CCCCCOC(=O)C1CCC2C(C1)O2

DOS

IR

Vibrations