Geometry & MOs

Info

ID:	211857
PubChem CID:	81054512
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-43.14
Dipole, Da:	7.1
IP(EA), eV:	-9.53(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)SCCC(=O)O

DOS

IR

Vibrations