Geometry & MOs

Info

ID:	245552
PubChem CID:	99453850
Reduced:	FN4O5H17C20 (1)
Stoich.:	AB4C5D17E20 (1)
Weight, g/mol:	397.18017
ΔH_f, kcal/mol:	-84.08
Dipole, Da:	7.19
IP(EA), eV:	-9.16(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=NN2C3=CC=CC=C3F)C)[N+](=O)[O-]

DOS

IR

Vibrations