Geometry & MOs

Info

ID:	270569
PubChem CID:	103637140
Reduced:	BrON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	281.064113
ΔH_f, kcal/mol:	23.4
Dipole, Da:	2.66
IP(EA), eV:	-9.27(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations