Geometry & MOs

Info

ID:	340572
PubChem CID:	127262583
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	433.071049
ΔH_f, kcal/mol:	-10.45
Dipole, Da:	0.63
IP(EA), eV:	-8.38(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methanesulfonic acid;methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=NC2=C1C=CN2CC3=CC=CC=C3)OC

DOS

IR

Vibrations