Geometry & MOs

Info

ID:

449209

PubChem CID:

135296863

Reduced:

NO3C12H14 (2)

Stoich.:

AB3C12D14 (2)

Weight, g/mol:

506.10525

ΔHf, kcal/mol:

-189.24

Dipole, Da:

11.93

IP(EA), eV:

 -9.19(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-bromo-8-(3-ethoxypropoxy)-9-methoxy-3,3-dimethyl-14-oxo-1,2-diazatetracyclo[10.4.0.02,5.06,11]hexadeca-6,8,10,12,15-pentaene-15-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)N1CC2=CC(=C(C=C2C3=CC(=O)C(=CN31)C(=O)O)OC)OCC4CC(=O)C4

DOS

IR

Vibrations