Geometry & MOs

Info

ID:	58752
PubChem CID:	24714815
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-121.19
Dipole, Da:	4.72
IP(EA), eV:	-8.96(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetyl-5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCCC3)C(=O)OC(C)C

DOS

IR

Vibrations