Geometry & MOs

Info

ID:	85599
PubChem CID:	49877534
Reduced:	ClON2C22H30 (1)
Stoich.:	ABC2D22E30 (1)
Weight, g/mol:	320.118409
ΔH_f, kcal/mol:	-21.37
Dipole, Da:	4.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754827
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-(2-tert-butyl-4-chlorophenoxy)ethylamino]propan-2-ol;chloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCCCN2CCN(CC2)CC3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations