Geometry & MOs

Info

ID:	308322
PubChem CID:	125326145
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	325.120861
ΔH_f, kcal/mol:	-30.14
Dipole, Da:	2.33
IP(EA), eV:	-9.87(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S)-5,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C=CCCC(=O)N1CCCC[C@@H]1C2=NN=C(C2)C(=O)N

DOS

IR

Vibrations