Geometry & MOs

Info

ID:	284007
PubChem CID:	104025953
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-186.26
Dipole, Da:	4.3
IP(EA), eV:	-10.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylpiperazin-1-yl)-(4-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCOCCO

DOS

IR

Vibrations