Geometry & MOs

Info

ID:	286569
PubChem CID:	104171083
Reduced:	BrOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-4.01
Dipole, Da:	7.9
IP(EA), eV:	-9.27(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxypropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

C1CCSC(C1)C(=O)NC2=C(C=C(C=C2)C#N)Br

DOS

IR

Vibrations