Geometry & MOs

Info

ID:	187665
PubChem CID:	77606326
Reduced:	SN2O4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	436.06094
ΔH_f, kcal/mol:	-138.63
Dipole, Da:	3.91
IP(EA), eV:	-8.57(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-bromobenzoyl)-2,5-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)O)C(C)CN(C)C.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

DOS

IR

Vibrations