Geometry & MOs

Info

ID:	183505
PubChem CID:	77032196
Reduced:	FOSN3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	230.174276
ΔH_f, kcal/mol:	5.04
Dipole, Da:	1.33
IP(EA), eV:	-8.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-amino-1-hydroxyiminobutan-2-yl)amino]-N-propylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=NO)N)F)CNCCC2=CSC=C2

DOS

IR

Vibrations