Geometry & MOs

Info

ID:	360635
PubChem CID:	127301280
Reduced:	O2N5C20H35 (1)
Stoich.:	A2B5C20D35 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-61.71
Dipole, Da:	3.28
IP(EA), eV:	-8.79(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C(C)(C)C)N2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations