Geometry & MOs

Info

ID:	292957
PubChem CID:	117367061
Reduced:	BrFNC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	245.02154
ΔH_f, kcal/mol:	-45.39
Dipole, Da:	1.55
IP(EA), eV:	-9.53(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-4-(fluoromethyl)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)CC(C)N)Br

DOS

IR

Vibrations