Geometry & MOs

Info

ID:	157154
PubChem CID:	56422198
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-98.8
Dipole, Da:	3.35
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(C1=CC=CC2=CC=CC=C21)C(=O)CN3CCCCC3C4OCCO4

DOS

IR

Vibrations