Geometry & MOs

Info

ID:	295132
PubChem CID:	117518271
Reduced:	BrN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	352.04226
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	4.4
IP(EA), eV:	-8.61(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-4-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C/C(=C/2\C=C(NN2C)C(=O)O)/C1=O)Br

DOS

IR

Vibrations