Geometry & MOs

Info

ID:	272642
PubChem CID:	103750649
Reduced:	BrFN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	288.02735
ΔH_f, kcal/mol:	-84.87
Dipole, Da:	3.8
IP(EA), eV:	-8.79(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-fluoroanilino)-N-propylacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)CNC2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations