Geometry & MOs

Info

ID:	198141
PubChem CID:	79054865
Reduced:	FNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	267.163457
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	4.26
IP(EA), eV:	-8.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(3-fluoro-5-methylanilino)hexanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)NC(C)C2=C(C=CC(=C2)OC)O

DOS

IR

Vibrations