Geometry & MOs

Info

ID:	371906
PubChem CID:	131278727
Reduced:	BrFNO2C11H11 (1)
Stoich.:	ABCD2E11F11 (1)
Weight, g/mol:	263.01212
ΔH_f, kcal/mol:	-82.09
Dipole, Da:	3.72
IP(EA), eV:	-9.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methylphenyl)-2,2-difluoro-N-methylethanamine

Drug info:

PubChemData

Smile

CC(CC1=C(C(=CC(=C1F)Br)O)OC)C#N

DOS

IR

Vibrations