Geometry & MOs

Info

ID:

184686

PubChem CID:

77192922

Reduced:

O3N4C26H31 (2)

Stoich.:

A3B4C26D31 (2)

Weight, g/mol:

469.101618

ΔHf, kcal/mol:

-99.9

Dipole, Da:

5.42

IP(EA), eV:

 -8.52(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[[3-(3-chlorophenoxy)-2-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole-4-carbonyl]amino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CN(C)C(C1=CC=CC=C1)C(=O)N2CCCC2C3=NC=C(N3)C4=CC(=C(C=C4)C5=C(C=C(C=C5)C6=CN=C(N6)C7CCCN7C(=O)C(C8=CC=CC=C8)N(C)C)OCCOC)OCCOC

DOS

IR

Vibrations