Geometry & MOs

Info

ID:

402040

PubChem CID:

135053992

Reduced:

NO2C8H9 (3)

Stoich.:

AB2C8D9 (3)

Weight, g/mol:

378.202896

ΔHf, kcal/mol:

-118.75

Dipole, Da:

7.88

IP(EA), eV:

 -9.21(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(Z,3R)-1-hydroxy-3-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CCOC([C@H](C)[C@@H](C1=CC=CO1)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations