Geometry & MOs

Info

ID:	177650
PubChem CID:	76208410
Reduced:	ClN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	273.068033
ΔH_f, kcal/mol:	-78.16
Dipole, Da:	7.79
IP(EA), eV:	-8.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-hydroxyiminobutyl)-5-chloro-2-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)NCCCC(=NO)N

DOS

IR

Vibrations