Geometry & MOs

Info

ID:	269571
PubChem CID:	103617997
Reduced:	BrClNOF3C12H12 (1)
Stoich.:	ABCDE3F12G12 (1)
Weight, g/mol:	293.103891
ΔH_f, kcal/mol:	-195.07
Dipole, Da:	2.53
IP(EA), eV:	-9.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-methoxy-N-propyl-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

CCCN(CC(F)(F)F)C(=O)C1=C(C=CC(=C1)Cl)Br

DOS

IR

Vibrations