Geometry & MOs

Info

ID:	152554
PubChem CID:	56311510
Reduced:	FO2N5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	473.209676
ΔH_f, kcal/mol:	-49.55
Dipole, Da:	5.74
IP(EA), eV:	-8.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1-dioxothiolan-3-yl)-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)CC(=O)NC3=CC(=NN3C4=CC=C(C=C4)F)C

DOS

IR

Vibrations