Geometry & MOs

Info

ID:	352519
PubChem CID:	127283607
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	15.97
Dipole, Da:	3.9
IP(EA), eV:	-8.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[3-(4-methylidenepiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations