Geometry & MOs

Info

ID:	129074
PubChem CID:	51068989
Reduced:	FN3O4H26C30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	473.21147
ΔH_f, kcal/mol:	-46.79
Dipole, Da:	3.92
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations