Geometry & MOs

Info

ID:	172929
PubChem CID:	75573844
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	458.147786
ΔH_f, kcal/mol:	-3.81
Dipole, Da:	3.57
IP(EA), eV:	-8.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methyl-5-oxo-4-[[5-(3-propoxycarbonylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C=CC(=O)C3=CC=CC=C3)N(C1=O)C

DOS

IR

Vibrations