Geometry & MOs

Info

ID:	39654
PubChem CID:	8141753
Reduced:	Cl2O2N3C18H26 (1)
Stoich.:	A2B2C3D18E26 (1)
Weight, g/mol:	386.140207
ΔH_f, kcal/mol:	-86.51
Dipole, Da:	2.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754661
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations