Geometry & MOs

Info

ID:	156268
PubChem CID:	56369904
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	442.180504
ΔH_f, kcal/mol:	-54.29
Dipole, Da:	8.44
IP(EA), eV:	-8.65(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetamido-N-[2-benzyl-5-(2-methylphenyl)pyrazol-3-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCOCCOC(C)C(=O)NC1=CC(=NN1CC2=CC=CC=C2)C3=CC=CC=C3C

DOS

IR

Vibrations