Geometry & MOs

Info

ID:	39648
PubChem CID:	8141745
Reduced:	ClN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	395.197569
ΔH_f, kcal/mol:	-124.11
Dipole, Da:	3.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754701
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C(C)(C)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations