Geometry & MOs

Info

ID:	293108
PubChem CID:	117374049
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-131.51
Dipole, Da:	5.33
IP(EA), eV:	-9.73(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2=CC(=CC=C2)C(C(=O)O)O

DOS

IR

Vibrations