Geometry & MOs

Info

ID:	120777
PubChem CID:	50744110
Reduced:	ClFN6C26H26 (1)
Stoich.:	ABC6D26E26 (1)
Weight, g/mol:	512.182648
ΔH_f, kcal/mol:	70.66
Dipole, Da:	5.14
IP(EA), eV:	-8.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[7-[[2-(4-chlorophenyl)acetyl]amino]-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=NC3=NC(=NN3C(=C2C1)N4CCN(CC4)C5=CC=CC=C5F)CC6=CC=C(C=C6)Cl

DOS

IR

Vibrations