Geometry & MOs

Info

ID:	292958
PubChem CID:	117367078
Reduced:	BrFNC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	245.02154
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	2.83
IP(EA), eV:	-9.48(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-fluoro-2-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCCN)Br)CF

DOS

IR

Vibrations