Geometry & MOs

Info

ID:

193955

PubChem CID:

78459799

Reduced:

NO5C22H24 (1)

Stoich.:

AB5C22D24 (1)

Weight, g/mol:

270.149404

ΔHf, kcal/mol:

-105.45

Dipole, Da:

10.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.884461

Charge, e:

 1

Chem-info

IUPAC name:

(1-methoxy-3-oxo-1,3-diphenylpropan-2-yl)-methylazanium

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCC4

DOS

IR

Vibrations