Geometry & MOs

Info

ID:	280892
PubChem CID:	103851794
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	285.039041
ΔH_f, kcal/mol:	-12.96
Dipole, Da:	1.76
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenyl)methylamino]-1-thiophen-3-ylethanol

Drug info:

PubChemData

Smile

C1CCC(C(C1)CO)NCC2=CC=CC=C2C#N

DOS

IR

Vibrations