Geometry & MOs

Info

ID:

223863

PubChem CID:

85335674

Reduced:

N3O9H31C34 (1)

Stoich.:

A3B9C31D34 (1)

Weight, g/mol:

617.23733

ΔHf, kcal/mol:

-232.87

Dipole, Da:

9.15

IP(EA), eV:

 -8.78(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methoxy-5-[3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 2-[(1-benzylindazol-3-yl)methoxy]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC=CC=CC1CC2C(C(=O)C3=C(C2=C4CNCCN4)CCC35C(=O)C6=C(C7=C(C(=C6C5=O)O)C(=O)C(=CC7=O)OC)O)C(=O)N1

DOS

IR

Vibrations