Geometry & MOs

Info

ID:

329390

PubChem CID:

126736013

Reduced:

NO2H19C21 (1)

Stoich.:

AB2C19D21 (1)

Weight, g/mol:

298.116486

ΔHf, kcal/mol:

-16.79

Dipole, Da:

1.37

IP(EA), eV:

-9.26(-0.61)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-(4,5-dimethoxy-2-nitrophenyl)ethyl N-ethylcarbamate

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1COC(=O)C)/C2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations