Geometry & MOs

Info

ID:	265276
PubChem CID:	103516447
Reduced:	BrNOF2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	295.01835
ΔH_f, kcal/mol:	-125.61
Dipole, Da:	3.11
IP(EA), eV:	-9.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-fluorophenyl)-N-ethyl-1,1-difluoropropan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(C(F)F)N)Br

DOS

IR

Vibrations