Geometry & MOs

Info

ID:

192300

PubChem CID:

78254341

Reduced:

NO3C13H16 (2)

Stoich.:

AB3C13D16 (2)

Weight, g/mol:

496.134262

ΔHf, kcal/mol:

-211.25

Dipole, Da:

3.91

IP(EA), eV:

 -8.98(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[3-(3-ethoxycarbonyl-4,6-dioxo-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)phenyl]-4,6-dioxo-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5CCCCC5C3=O

DOS

IR

Vibrations