Geometry & MOs

Info

ID:	131861
PubChem CID:	51270415
Reduced:	NSO4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-112.74
Dipole, Da:	6.86
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethoxyphenyl)sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations