Geometry & MOs

Info

ID:	39647
PubChem CID:	8141742
Reduced:	BrN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	396.205395
ΔH_f, kcal/mol:	-119.92
Dipole, Da:	4.81
IP(EA), eV:	-9.2(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)COC2=CC(=CC=C2)Br

DOS

IR

Vibrations