Geometry & MOs

Info

ID:	329308
PubChem CID:	126734473
Reduced:	NOC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	406.160952
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	4.47
IP(EA), eV:	-9.23(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

C[C@H]1CCC(=O)N([C@@H]1C)C

DOS

IR

Vibrations