Geometry & MOs

Info

ID:	287268
PubChem CID:	104234205
Reduced:	FN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	273.01645
ΔH_f, kcal/mol:	-151.62
Dipole, Da:	4.71
IP(EA), eV:	-8.95(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC(C)C(=O)N2CCOCC2)F)N

DOS

IR

Vibrations