Geometry & MOs

Info

ID:

88746

PubChem CID:

49956487

Reduced:

ClNOC17H21 (1)

Stoich.:

ABCD17E21 (1)

Weight, g/mol:

362.005227

ΔHf, kcal/mol:

20.18

Dipole, Da:

0.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750024

Charge, e:

 -1

Chem-info

IUPAC name:

N-[(2,6-dichlorophenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine;chloride

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNCC2=CC=C(C=C2)C.[Cl-]

DOS

IR

Vibrations