Geometry & MOs

Info

ID:	184687
PubChem CID:	77192923
Reduced:	ClF3N3O4H19C21 (1)
Stoich.:	AB3C3D4E19F21 (1)
Weight, g/mol:	485.072068
ΔH_f, kcal/mol:	-254.33
Dipole, Da:	5.46
IP(EA), eV:	-9.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2C(N(N=C2C(F)(F)F)C)OC3=CC(=CC=C3)Cl

DOS

IR

Vibrations