Geometry & MOs

Info

ID:

218221

PubChem CID:

85089046

Reduced:

N2O9H16C21 (1)

Stoich.:

A2B9C16D21 (1)

Weight, g/mol:

440.169585

ΔHf, kcal/mol:

-169.53

Dipole, Da:

3.99

IP(EA), eV:

 -9.38(-2.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[11-amino-7-methoxy-10,13-dioxo-12-(phenylmethoxymethyl)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1OCC=CC2=C(C=CC(=C2)C3=CC(=NO3)C(=O)O)[N+](=O)[O-])O

DOS

IR

Vibrations