Geometry & MOs

Info

ID:	88616
PubChem CID:	49955744
Reduced:	ClNO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	328.077417
ΔH_f, kcal/mol:	-34.71
Dipole, Da:	3.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.986119
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNCC2=CC3=C(C=C2)OCCO3.[Cl-]

DOS

IR

Vibrations