Geometry & MOs

Info

ID:	124510
PubChem CID:	50885804
Reduced:	ON2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	506.147786
ΔH_f, kcal/mol:	28.89
Dipole, Da:	10.85
IP(EA), eV:	-9.32(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N/N=C\2/C(=C(C(=O)NC2=O)C#N)C3=CC=CC=C3

DOS

IR

Vibrations