Geometry & MOs

Info

ID:	262512
PubChem CID:	103297835
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	279.088241
ΔH_f, kcal/mol:	-103.63
Dipole, Da:	3.29
IP(EA), eV:	-8.77(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluorobutyl 5-amino-2-fluoro-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)OCCCC2=CC=CC=C2)N

DOS

IR

Vibrations