Geometry & MOs

Info

ID:	124467
PubChem CID:	50884772
Reduced:	Cl2N2O4H20C27 (1)
Stoich.:	A2B2C4D20E27 (1)
Weight, g/mol:	476.01385
ΔH_f, kcal/mol:	-61.98
Dipole, Da:	5.48
IP(EA), eV:	-8.64(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4Z)-4-[(5-bromo-2-propoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)N=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4Cl)Cl

DOS

IR

Vibrations