Geometry & MOs

Info

ID:	129059
PubChem CID:	51068448
Reduced:	ClN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	543.152511
ΔH_f, kcal/mol:	-11.85
Dipole, Da:	6.07
IP(EA), eV:	-9.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(C2CC2)C(=O)COC)OC3=CC=CC=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations