Geometry & MOs

Info

ID:	88536
PubChem CID:	49955236
Reduced:	NCl2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	310.120996
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	3.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

1-[[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]methylamino]propan-2-ol;chloride

Drug info:

PubChemData

Smile

CC(CNCC1=CC=C(O1)C2=CC(=C(C=C2)OC)Cl)O.[Cl-]

DOS

IR

Vibrations