Geometry & MOs

Info

ID:	88588
PubChem CID:	49955623
Reduced:	ClNO4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	336.136646
ΔH_f, kcal/mol:	-54.4
Dipole, Da:	13.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126672
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNCC2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

DOS

IR

Vibrations