Geometry & MOs

Info

ID:

83596

PubChem CID:

49858505

Reduced:

NO11C28H39 (1)

Stoich.:

AB11C28D39 (1)

Weight, g/mol:

518.13174

ΔHf, kcal/mol:

-447.14

Dipole, Da:

3.71

IP(EA), eV:

 -9.59(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-benzyl-4-(4-bromophenyl)-6-methyl-2-(2-pyridin-3-ylethylamino)-4H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C=NO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[C@@H](C(C)C)OCC2=CC=CC=C2

DOS

IR

Vibrations