Geometry & MOs

Info

ID:	287260
PubChem CID:	104234184
Reduced:	FO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	353.04267
ΔH_f, kcal/mol:	-51.81
Dipole, Da:	3.8
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(3-bromophenoxy)ethoxy]-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)COC2=C(C=C(C=C2)C(C)N)F

DOS

IR

Vibrations