Geometry & MOs

Info

ID:	211864
PubChem CID:	81054834
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-36.39
Dipole, Da:	5.92
IP(EA), eV:	-8.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[butan-2-yl(ethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NCC2CCCCO2

DOS

IR

Vibrations