Geometry & MOs

Info

ID:

84875

PubChem CID:

49870524

Reduced:

O3N4C21H25 (2)

Stoich.:

A3B4C21D25 (2)

Weight, g/mol:

383.149458

ΔHf, kcal/mol:

-148.52

Dipole, Da:

4.59

IP(EA), eV:

 -8.52(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-6-[[(1R)-1-(4-oxo-3-phenylpyrido[1,2-a]pyrimidin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations