Geometry & MOs

Info

ID:

299128

PubChem CID:

117672132

Reduced:

O9C46H72 (1)

Stoich.:

A9B46C72 (1)

Weight, g/mol:

266.149124

ΔHf, kcal/mol:

-437.8

Dipole, Da:

5.51

IP(EA), eV:

 -9.97(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3-aminooxan-4-yl)amino]-4-(methylamino)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H]([C@](C1CC[C@@](C2CC=C)(C)[C@@]3(C[C@H]([C@]4([C@H]([C@@H](C(CC4C3)(C)C)O)OC(=O)CCC=C)COC(=O)CCC=C)O)C)(C)COC(=O)CCC=C)O

DOS

IR

Vibrations