Geometry & MOs

Info

ID:	164968
PubChem CID:	74478735
Reduced:	NO7H21C23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	323.083195
ΔH_f, kcal/mol:	-183.96
Dipole, Da:	5.71
IP(EA), eV:	-9.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[4-[(2-fluorophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(=O)[O-])C3=C(C=C(C=C3)OC)OC)[O-]

DOS

IR

Vibrations