Geometry & MOs

Info

ID:	127290
PubChem CID:	50997498
Reduced:	ON9H19C23 (1)
Stoich.:	AB9C19D23 (1)
Weight, g/mol:	415.155686
ΔH_f, kcal/mol:	125.98
Dipole, Da:	9.91
IP(EA), eV:	-8.65(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-6-methyl-2-[1-(7H-purin-6-ylamino)ethyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=C(C(=O)N12)C3=CC=CC(=C3)C#N)C(C)NC4=NC(=NC5=C4NC=N5)N

DOS

IR

Vibrations