Geometry & MOs

Info

ID:	271966
PubChem CID:	103707293
Reduced:	BrFN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	328.05865
ΔH_f, kcal/mol:	-115.04
Dipole, Da:	4.74
IP(EA), eV:	-9.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CNC(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations