Geometry & MOs

Info

ID:	274312
PubChem CID:	103808510
Reduced:	BrFON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	316.05865
ΔH_f, kcal/mol:	-91.13
Dipole, Da:	3.51
IP(EA), eV:	-9.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations