Geometry & MOs

Info

ID:

88613

PubChem CID:

49955727

Reduced:

ClNO3C18H23 (1)

Stoich.:

ABC3D18E23 (1)

Weight, g/mol:

294.10093

ΔHf, kcal/mol:

-50.35

Dipole, Da:

1.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752397

Charge, e:

 -1

Chem-info

IUPAC name:

2-methoxy-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;chloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNCCC2=CC=CC=C2)OCCO.[Cl-]

DOS

IR

Vibrations