Geometry & MOs

Info

ID:	152349
PubChem CID:	56311264
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	475.25834
ΔH_f, kcal/mol:	-33.6
Dipole, Da:	8.3
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

DOS

IR

Vibrations