Geometry & MOs

Info

ID:	274318
PubChem CID:	103808539
Reduced:	BrFON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	302.043
ΔH_f, kcal/mol:	-92.44
Dipole, Da:	4.92
IP(EA), eV:	-9.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

CCCC(C)(C(=O)NC1=C(C=CC(=C1)F)Br)N

DOS

IR

Vibrations