Geometry & MOs

Info

ID:	449546
PubChem CID:	135299477
Reduced:	ClH13C20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	392.276296
ΔH_f, kcal/mol:	66.89
Dipole, Da:	2.1
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations