Geometry & MOs

Info

ID:	208233
PubChem CID:	80506918
Reduced:	ON7C12H19 (1)
Stoich.:	AB7C12D19 (1)
Weight, g/mol:	308.14193
ΔH_f, kcal/mol:	48.07
Dipole, Da:	3.67
IP(EA), eV:	-8.35(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)CC2=CC(=O)N3C(=N2)N=CN3

DOS

IR

Vibrations