Geometry & MOs

Info

ID:	205962
PubChem CID:	80184535
Reduced:	OF2N2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	307.11392
ΔH_f, kcal/mol:	-109.55
Dipole, Da:	3.98
IP(EA), eV:	-8.59(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chloro-2-fluorophenyl)-2-phenoxyethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC12CNC3=C(C(=C(C=C3)F)F)NC1COC2

DOS

IR

Vibrations