Geometry & MOs

Info

ID:	55586
PubChem CID:	17395600
Reduced:	SO3N6C22H30 (1)
Stoich.:	AB3C6D22E30 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-72.35
Dipole, Da:	7.09
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethylpiperazin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCNC1=O)SC2=NN=C(N2C3CCCCC3)CNC4=CC(=CC=C4)OC

DOS

IR

Vibrations