Geometry & MOs

Info

ID:	295185
PubChem CID:	117520850
Reduced:	BrO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	382.05282
ΔH_f, kcal/mol:	-137.43
Dipole, Da:	4.39
IP(EA), eV:	-9.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCCCC2=C1Br)C3(CCCCC3)C(=O)O

DOS

IR

Vibrations