Geometry & MOs

Info

ID:	39653
PubChem CID:	8141752
Reduced:	ClN4O4C17H23 (1)
Stoich.:	AB4C4D17E23 (1)
Weight, g/mol:	386.140207
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	6.19
IP(EA), eV:	-9.36(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[2-(3,4-dichlorophenyl)acetyl]piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations