Geometry & MOs

Info

ID:	363180
PubChem CID:	127310248
Reduced:	O3N7C16H19 (1)
Stoich.:	A3B7C16D19 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	14.88
Dipole, Da:	10.06
IP(EA), eV:	-9.09(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2CCN(CC2)C3=NC(=O)C4=CNN(C4=N3)C

DOS

IR

Vibrations