Geometry & MOs

Info

ID:	200765
PubChem CID:	79440170
Reduced:	BrO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	263.114399
ΔH_f, kcal/mol:	-129.7
Dipole, Da:	4.59
IP(EA), eV:	-9.66(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

C1CCC(C1)(CC(C2=CC=C(C=C2)Br)C(=O)O)O

DOS

IR

Vibrations