Geometry & MOs

Info

ID:	287127
PubChem CID:	104233730
Reduced:	FNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	283.158372
ΔH_f, kcal/mol:	-166.65
Dipole, Da:	6.93
IP(EA), eV:	-9.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylhexanoate

Drug info:

PubChemData

Smile

CC(C(C)(CC(=O)O)C1=C(C=CC=C1F)OC)N

DOS

IR

Vibrations