Geometry & MOs

Info

ID:	152718
PubChem CID:	56311775
Reduced:	SN3O4C21H31 (1)
Stoich.:	AB3C4D21E31 (1)
Weight, g/mol:	421.272927
ΔH_f, kcal/mol:	-158.84
Dipole, Da:	6.52
IP(EA), eV:	-9.07(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-tert-butyl-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)N(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations