Geometry & MOs

Info

ID:	88596
PubChem CID:	49955645
Reduced:	ClO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	298.066853
ΔH_f, kcal/mol:	2.59
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750174
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol;chloride

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CNCC3=CC=CC=C3OC)N(C1=O)C.[Cl-]

DOS

IR

Vibrations