Geometry & MOs

Info

ID:	55016
PubChem CID:	17389665
Reduced:	ClNSO2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	246.121572
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	6.24
IP(EA), eV:	-8.51(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7R,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol;oxalic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(S1)C=CC(=C2)N.Cl

DOS

IR

Vibrations