Geometry & MOs

Info

ID:	2036
PubChem CID:	5632
Reduced:	NO2F3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	337.128963
ΔH_f, kcal/mol:	-219.03
Dipole, Da:	4.1
IP(EA), eV:	-8.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[3-(trifluoromethyl)anilino]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations