Geometry & MOs

Info

ID:	59401
PubChem CID:	24853789
Reduced:	NO2C31H45 (1)
Stoich.:	AB2C31D45 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-135.22
Dipole, Da:	2.59
IP(EA), eV:	-8.6(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-3-(pyridin-3-ylmethoxy)quinoxaline

Drug info:

PubChemData

Smile

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C4=CC=C(C=C4)OCC(CNC5C6CC7CC(C6)CC5C7)O)C

DOS

IR

Vibrations