Geometry & MOs

Info

ID:	366677
PubChem CID:	127320206
Reduced:	ON8C20H24 (1)
Stoich.:	AB8C20D24 (1)
Weight, g/mol:	344.14193
ΔH_f, kcal/mol:	69.25
Dipole, Da:	5.84
IP(EA), eV:	-8.92(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(=NN=C3N(C2=O)C)CN4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations