Geometry & MOs

Info

ID:

85830

PubChem CID:

49879612

Reduced:

ClOSN3C12H15 (1)

Stoich.:

ABCD3E12F15 (1)

Weight, g/mol:

214.074715

ΔHf, kcal/mol:

59.93

Dipole, Da:

6.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750028

Charge, e:

 -1

Chem-info

IUPAC name:

4-(6-methylpyrimidin-4-yl)morpholine;chloride

Drug info:

PubChemData

Smile

CCSC1=NN=C(O1)[C@H](CC2=CC=CC=C2)N.[Cl-]

DOS

IR

Vibrations