Geometry & MOs

Info

ID:	88708
PubChem CID:	49956199
Reduced:	ClN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	326.071459
ΔH_f, kcal/mol:	37.62
Dipole, Da:	1.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol;chloride

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC=C(O2)CNCC3=CC=CC=N3.[Cl-]

DOS

IR

Vibrations