Geometry & MOs

Info

ID:

134302

PubChem CID:

51676486

Reduced:

NO3C26H37 (1)

Stoich.:

AB3C26D37 (1)

Weight, g/mol:

411.190654

ΔHf, kcal/mol:

-146.12

Dipole, Da:

5.5

IP(EA), eV:

 -8.79(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

dimethyl-[2-[[4-oxo-3-(phenylmethoxycarbonylamino)-1H-pyrido[1,2-a]pyrimidin-5-ium-9-carbonyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]([C@@H](NC1)[C@@H](C)C2=C([C@@H]3[C@@H](CC2)C4=C(C3=O)[C@@H]5CC[C@@H](CC5=CC4)O)C)O

DOS

IR

Vibrations