Geometry & MOs

Info

ID:	355129
PubChem CID:	127288061
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	376.193297
ΔH_f, kcal/mol:	-84.23
Dipole, Da:	3.63
IP(EA), eV:	-8.73(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N(C)C(=O)CN2C(=O)CN3C4=CC=CC=C4C=C3C2=O

DOS

IR

Vibrations