Geometry & MOs

Info

ID:	129075
PubChem CID:	51069176
Reduced:	FN3O3C28H28 (1)
Stoich.:	AB3C3D28E28 (1)
Weight, g/mol:	447.19582
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	4.54
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CCCN(CC1=C(N(N=C1C2=CC=CC=C2)C)OC3=CC=CC=C3F)C(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations