Geometry & MOs

Info

ID:	184097
PubChem CID:	77108428
Reduced:	SN3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	314.09681
ΔH_f, kcal/mol:	48.75
Dipole, Da:	4.41
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chloropyridin-4-yl)methyl]-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide

Drug info:

PubChemData

Smile

CC(C)CC1CSC(=N1)C2=CC3=C(N2)C=CC=N3

DOS

IR

Vibrations