Geometry & MOs

Info

ID:	172936
PubChem CID:	75574384
Reduced:	OCl2N2H12C17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	492.108814
ΔH_f, kcal/mol:	61.62
Dipole, Da:	3.66
IP(EA), eV:	-8.35(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[1-(4-chloro-3-propan-2-yloxycarbonylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NN=CC2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations