Geometry & MOs

Info

ID:	167736
PubChem CID:	74866879
Reduced:	OSN3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	63.88
Dipole, Da:	4.05
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azocan-1-yl)-N'-hydroxybenzenecarboximidamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=NO)N)SC2=CC=CC=N2

DOS

IR

Vibrations