Geometry & MOs

Info

ID:	152836
PubChem CID:	56311913
Reduced:	BrSN2O3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	387.288577
ΔH_f, kcal/mol:	-82.98
Dipole, Da:	2.41
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N,N-bis(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCS(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations