Geometry & MOs

Info

ID:	124333
PubChem CID:	50879433
Reduced:	BrClN2O2C11H12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	3.86
Dipole, Da:	6.43
IP(EA), eV:	-9.19(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-2-nitrophenyl)-4-methylpiperidine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2Br)[N+](=O)[O-])Cl

DOS

IR

Vibrations