Geometry & MOs

Info

ID:	153250
PubChem CID:	56312416
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	402.263091
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	5.13
IP(EA), eV:	-8.67(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations