Geometry & MOs

Info

ID:	270604
PubChem CID:	103637257
Reduced:	ClN2O4C10H15 (1)
Stoich.:	AB2C4D10E15 (1)
Weight, g/mol:	355.02416
ΔH_f, kcal/mol:	-119.16
Dipole, Da:	9.56
IP(EA), eV:	-10.25(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]-6-ethoxyphenol

Drug info:

PubChemData

Smile

C[C@H](CO)NCC1=C(C=CC(=C1)[N+](=O)[O-])O.Cl

DOS

IR

Vibrations