Geometry & MOs

Info

ID:	124522
PubChem CID:	50887094
Reduced:	BrClN2O5H22C23 (1)
Stoich.:	ABC2D5E22F23 (1)
Weight, g/mol:	554.02441
ΔH_f, kcal/mol:	-122.17
Dipole, Da:	6.46
IP(EA), eV:	-8.8(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4Z)-4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)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)Br)OCC(C)C)OC)C3=CC(=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations