Geometry & MOs

Info

ID:

85493

PubChem CID:

49876054

Reduced:

ClNOC11H17 (1)

Stoich.:

ABCD11E17 (1)

Weight, g/mol:

200.084217

ΔHf, kcal/mol:

-50.31

Dipole, Da:

2.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.122027

Charge, e:

 -1

Chem-info

IUPAC name:

3-(2-methylpropoxy)aniline;chloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC(C)CN)C.[Cl-]

DOS

IR

Vibrations