Geometry & MOs

Info

ID:	202513
PubChem CID:	79680367
Reduced:	O3N4C9H16 (1)
Stoich.:	A3B4C9D16 (1)
Weight, g/mol:	264.07933
ΔH_f, kcal/mol:	-64.86
Dipole, Da:	5.01
IP(EA), eV:	-9.07(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine-2-carbothioamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)N2CCOC(C2)C(=NO)N

DOS

IR

Vibrations