Geometry & MOs

Info

ID:

233550

PubChem CID:

91145433

Reduced:

N3O4C74H85 (1)

Stoich.:

A3B4C74D85 (1)

Weight, g/mol:

453.168856

ΔHf, kcal/mol:

-147.18

Dipole, Da:

7.05

IP(EA), eV:

 -8.36(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[2-[[2-[(4,5-diphenyl-1H-pyrazol-3-yl)oxy]acetyl]amino]ethenyl]benzoate

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCCCC)NC(=O)C1=C2C(=CC=C3C2=C(C=C1)C4=CC=CC5=C4C3=CC=C5)C(=O)NC(=O)C6=CC=C7C8=CC=CC9=C8C(=CC=C9)C1=C7C6=C(C=C1)C(=O)NC(CCCCCCC)CCCCCCC

DOS

IR

Vibrations