Geometry & MOs

Info

ID:	153248
PubChem CID:	56312411
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	459.263425
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	2.16
IP(EA), eV:	-8.94(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

DOS

IR

Vibrations