Geometry & MOs

Info

ID:	349729
PubChem CID:	127275881
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	387.136511
ΔH_f, kcal/mol:	-105.22
Dipole, Da:	7.52
IP(EA), eV:	-9.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)C3CC(=O)N(C3)C4CCCC4

DOS

IR

Vibrations