Geometry & MOs

Info

ID:	296963
PubChem CID:	117603064
Reduced:	ON2C10H10 (3)
Stoich.:	AB2C10D10 (3)
Weight, g/mol:	362.143056
ΔH_f, kcal/mol:	7.79
Dipole, Da:	10.8
IP(EA), eV:	-8.27(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-2-methylphenyl)-4-quinoxalin-6-ylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=C6C=CC(=O)C=C6NC=C5)N=C3

DOS

IR

Vibrations