Geometry & MOs

Info

ID:	55580
PubChem CID:	17395592
Reduced:	ClSO2N3C20H22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-27.63
Dipole, Da:	5.59
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)CC2=C(N=C3N2C=CS3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations