Geometry & MOs

Info

ID:	124583
PubChem CID:	50888262
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	626.237664
ΔH_f, kcal/mol:	-138.42
Dipole, Da:	3.0
IP(EA), eV:	-8.7(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-butoxy-3-methoxyphenyl)-[2-(3-carboxyphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)CCC(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

DOS

IR

Vibrations