Geometry & MOs

Info

ID:	124521
PubChem CID:	50887093
Reduced:	ClN2O5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	520.04006
ΔH_f, kcal/mol:	-125.09
Dipole, Da:	8.08
IP(EA), eV:	-8.68(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)OC(C)C)OC)C3=CC(=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations