Geometry & MOs

Info

ID:	152553
PubChem CID:	56311509
Reduced:	Cl2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	449.222703
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	2.76
IP(EA), eV:	-9.11(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations