Geometry & MOs

Info

ID:	120992
PubChem CID:	50752844
Reduced:	BrN3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-29.21
Dipole, Da:	9.11
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC2=C(N=C(O2)C3=CC=C(O3)COC4=CC=C(C=C4)Br)C#N

DOS

IR

Vibrations