Geometry & MOs

Info

ID:	129073
PubChem CID:	51068988
Reduced:	FN3O4H26C30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	511.190734
ΔH_f, kcal/mol:	-41.78
Dipole, Da:	4.32
IP(EA), eV:	-8.77(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3F)OC4=CC=CC=C4OC)C5=CC=CC=C5

DOS

IR

Vibrations