Geometry & MOs

Info

ID:	59049
PubChem CID:	24770581
Reduced:	O6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	372.01095
ΔH_f, kcal/mol:	-265.16
Dipole, Da:	10.78
IP(EA), eV:	-9.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(3-bromophenyl)methyl]-5-oxo-1,2-dihydropyrazol-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/COC1=C(C(=C(C(=C1)O)C(=O)O)O)C(=O)C)/C)C

DOS

IR

Vibrations