Geometry & MOs

Info

ID:	122632
PubChem CID:	50815561
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	463.210721
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	3.27
IP(EA), eV:	-8.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]benzoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C(=O)C1=O)CC3=CC=C(C=C3)C(=O)NC4CCCC4

DOS

IR

Vibrations