Geometry & MOs

Info

ID:	295125
PubChem CID:	117518168
Reduced:	ClO4C19H25 (1)
Stoich.:	AB4C19D25 (1)
Weight, g/mol:	352.00587
ΔH_f, kcal/mol:	-180.7
Dipole, Da:	4.25
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C2(CCCCC2)C(=O)O)Cl)OC3CCCC3

DOS

IR

Vibrations