Geometry & MOs

Info

ID:	359345
PubChem CID:	127298394
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-82.49
Dipole, Da:	7.07
IP(EA), eV:	-8.85(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(C)C)C(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations