Geometry & MOs

Info

ID:	39655
PubChem CID:	8141757
Reduced:	Cl2O2N3C18H26 (1)
Stoich.:	A2B2C3D18E26 (1)
Weight, g/mol:	385.197712
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	2.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755138
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[2-[3-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations