Geometry & MOs

Info

ID:	157120
PubChem CID:	56422159
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-117.71
Dipole, Da:	5.68
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCCC3C4OCCO4

DOS

IR

Vibrations