Geometry & MOs

Info

ID:	26649
PubChem CID:	794453
Reduced:	NO2H7C9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	287.099143
ΔH_f, kcal/mol:	-21.23
Dipole, Da:	7.19
IP(EA), eV:	-9.26(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-methylpiperidine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C=C1

DOS

IR

Vibrations