Geometry & MOs

Info

ID:	198115
PubChem CID:	79050007
Reduced:	FON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	281.179107
ΔH_f, kcal/mol:	-14.62
Dipole, Da:	1.0
IP(EA), eV:	-9.21(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-2-(3-fluoro-5-methylanilino)hexanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)NC(=O)C2=CC3=C(C=C2)C=NN3

DOS

IR

Vibrations