Geometry & MOs

Info

ID:

85827

PubChem CID:

49879602

Reduced:

ClOSN3C12H15 (1)

Stoich.:

ABCD3E12F15 (1)

Weight, g/mol:

333.148214

ΔHf, kcal/mol:

26.38

Dipole, Da:

5.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752564

Charge, e:

 -1

Chem-info

IUPAC name:

2-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-4-amine;chloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=NN=C(O2)CCN.[Cl-]

DOS

IR

Vibrations