Geometry & MOs

Info

ID:	165243
PubChem CID:	74520726
Reduced:	SN4O4H13C23 (1)
Stoich.:	AB4C4D13E23 (1)
Weight, g/mol:	273.196688
ΔH_f, kcal/mol:	48.33
Dipole, Da:	8.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.476077
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(4-phenylpiperidin-1-ium-1-yl)cyclohexylidene]hydroxylamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-])C#N

DOS

IR

Vibrations