Geometry & MOs

Info

ID:	184690
PubChem CID:	77192926
Reduced:	Cl2N3O4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	469.101618
ΔH_f, kcal/mol:	-104.24
Dipole, Da:	8.02
IP(EA), eV:	-9.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[[5-(5-chlorocyclohexa-1,3-dien-1-yl)oxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(C1C(=O)NC(C)C2=CC=C(C=C2)C(=O)O)OC3=C(C(=CC=C3)Cl)Cl)C

DOS

IR

Vibrations