Geometry & MOs

Info

ID:	124495
PubChem CID:	50885243
Reduced:	BrN2O2H15C19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	352.105922
ΔH_f, kcal/mol:	17.23
Dipole, Da:	2.46
IP(EA), eV:	-8.51(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[(4Z)-4-[(4-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)N=CC2=CC=C(O2)C3=CC=CC=C3Br

DOS

IR

Vibrations