Geometry & MOs

Info

ID:	293237
PubChem CID:	117378202
Reduced:	BrFNO2C8H9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	248.99647
ΔH_f, kcal/mol:	-99.96
Dipole, Da:	1.85
IP(EA), eV:	-8.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-3,4-difluorophenyl)propan-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)CN)Br)F

DOS

IR

Vibrations