Geometry & MOs

Info

ID:

88525

PubChem CID:

49955131

Reduced:

ClSO2N5C18H23 (1)

Stoich.:

ABC2D5E18F23 (1)

Weight, g/mol:

450.164097

ΔHf, kcal/mol:

62.27

Dipole, Da:

6.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.046199

Charge, e:

 -2

Chem-info

IUPAC name:

N',N'-diethyl-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethane-1,2-diamine;dichloride

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=C(O2)CNCCCSC3=NN=NN3C)O.[Cl-]

DOS

IR

Vibrations