Geometry & MOs

Info

ID:	366688
PubChem CID:	127320217
Reduced:	ON5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	372.173231
ΔH_f, kcal/mol:	-48.14
Dipole, Da:	1.55
IP(EA), eV:	-8.79(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations