Geometry & MOs

Info

ID:	124131
PubChem CID:	50872842
Reduced:	NO5H13C17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	372.111007
ΔH_f, kcal/mol:	-110.38
Dipole, Da:	3.84
IP(EA), eV:	-9.2(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C1=CC=C(O1)C2=CC=CC=C2C(=O)O)/C#N

DOS

IR

Vibrations