Geometry & MOs

Info

ID:	258540
PubChem CID:	103154823
Reduced:	N2O2F3C12H21 (1)
Stoich.:	A2B2C3D12E21 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-280.71
Dipole, Da:	6.46
IP(EA), eV:	-9.8(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[2-methyl-3-(propanoylamino)phenyl]butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1CCCCC1C(F)(F)F)CN

DOS

IR

Vibrations