Geometry & MOs

Info

ID:	124332
PubChem CID:	50879275
Reduced:	SO2N3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	317.97707
ΔH_f, kcal/mol:	22.13
Dipole, Da:	0.73
IP(EA), eV:	-8.42(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-6-chloro-4-nitrophenyl)piperidine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)NC3=NC4=C(S3)C=C(C=C4)OC

DOS

IR

Vibrations