Geometry & MOs

Info

ID:	153147
PubChem CID:	56312293
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-79.54
Dipole, Da:	5.27
IP(EA), eV:	-8.68(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations