Geometry & MOs

Info

ID:	129061
PubChem CID:	51068450
Reduced:	ClFN3O3H23C29 (1)
Stoich.:	ABC3D3E23F29 (1)
Weight, g/mol:	463.146283
ΔH_f, kcal/mol:	-17.68
Dipole, Da:	5.48
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CO3)OC4=CC=CC=C4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations