Geometry & MOs

Info

ID:	88601
PubChem CID:	49955657
Reduced:	ClNO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	322.120996
ΔH_f, kcal/mol:	-24.43
Dipole, Da:	5.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.203392
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol;chloride

Drug info:

PubChemData

Smile

C1CCC(C1)NCC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O.[Cl-]

DOS

IR

Vibrations