Geometry & MOs

Info

ID:	280047
PubChem CID:	103846548
Reduced:	BrFNO2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	207.162314
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	1.58
IP(EA), eV:	-9.57(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-methylpropoxy)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations