Geometry & MOs

Info

ID:	279981
PubChem CID:	103846064
Reduced:	BrNO3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	248.99647
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	3.41
IP(EA), eV:	-9.67(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-3,4-difluorophenyl)propan-1-amine

Drug info:

PubChemData

Smile

COC(=O)CC(C1=C(C=CO1)Br)N

DOS

IR

Vibrations