Geometry & MOs

Info

ID:	174216
PubChem CID:	75741596
Reduced:	O2N4C22H27 (1)
Stoich.:	A2B4C22D27 (1)
Weight, g/mol:	496.307636
ΔH_f, kcal/mol:	-44.75
Dipole, Da:	7.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.976861
Charge, e:	1

Chem-info

IUPAC name:

2-methoxyethyl-[2-phenyl-1-[1-(quinoxalin-6-ylmethyl)piperidin-4-yl]ethyl]-(pyridin-3-ylmethyl)azanium

Drug info:

PubChemData

Smile

CN1CC(CCC1=O)C(=O)NCC2=C([NH+]=CC=C2)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations