Geometry & MOs

Info

ID:	274336
PubChem CID:	103808594
Reduced:	BrFON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	244.077869
ΔH_f, kcal/mol:	-72.72
Dipole, Da:	6.88
IP(EA), eV:	-9.06(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-chloro-5-fluorophenyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

C1CCN[C@@H](C1)C(=O)NC2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations