Geometry & MOs

Info

ID:

88704

PubChem CID:

49956183

Reduced:

ClN2O3C22H22 (1)

Stoich.:

AB2C3D22E22 (1)

Weight, g/mol:

326.071459

ΔHf, kcal/mol:

0.58

Dipole, Da:

6.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.887082

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)COC3=CC=C(C=C3)CNCC4=CN=CC=C4.[Cl-]

DOS

IR

Vibrations