Geometry & MOs

Info

ID:	122628
PubChem CID:	50815353
Reduced:	SO2N4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	57.66
Dipole, Da:	7.15
IP(EA), eV:	-8.66(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-propoxyquinoxalin-2-yl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)N3C4=NC(=O)CC(C4=C(N3)C)C5=CC=C(C=C5)OCC=C

DOS

IR

Vibrations