Geometry & MOs

Info

ID:	207173
PubChem CID:	80355799
Reduced:	FN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	245.173942
ΔH_f, kcal/mol:	-116.75
Dipole, Da:	5.39
IP(EA), eV:	-8.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-hydroxyiminobutan-2-yl)-4-ethoxy-N-methylbutanamide

Drug info:

PubChemData

Smile

COCCCC(=O)NC1=CC(=C(C=C1)F)C(=NO)N

DOS

IR

Vibrations