Geometry & MOs

Info

ID:	372934
PubChem CID:	131307209
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	236.119464
ΔH_f, kcal/mol:	-53.19
Dipole, Da:	7.36
IP(EA), eV:	-9.6(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-4-methylpiperidin-1-yl)sulfonylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(S2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations