Geometry & MOs

Info

ID:	361399
PubChem CID:	127303265
Reduced:	ON6C22H24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	350.149124
ΔH_f, kcal/mol:	77.67
Dipole, Da:	5.64
IP(EA), eV:	-9.05(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)N4CCN5C(=NN=C5C6CC6)C4

DOS

IR

Vibrations