Geometry & MOs

Info

ID:

127068

PubChem CID:

50989615

Reduced:

ClSN2C8H10 (1)

Stoich.:

ABC2D8E10 (1)

Weight, g/mol:

159.137162

ΔHf, kcal/mol:

18.74

Dipole, Da:

7.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762865

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-morpholin-4-ylpropane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[S]=C(N)N)Cl

DOS

IR

Vibrations