Geometry & MOs

Info

ID:	151917
PubChem CID:	56310743
Reduced:	SO2N4C26H32 (1)
Stoich.:	AB2C4D26E32 (1)
Weight, g/mol:	459.263425
ΔH_f, kcal/mol:	-46.73
Dipole, Da:	2.2
IP(EA), eV:	-8.76(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations