Geometry & MOs

Info

ID:	449531
PubChem CID:	135299354
Reduced:	NO5C27H49 (1)
Stoich.:	AB5C27D49 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-276.21
Dipole, Da:	4.6
IP(EA), eV:	-9.1(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-4-(2-methylbutan-2-yl)piperazine

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCCCN(C)CC(COC(=O)CCC(=O)O)O

DOS

IR

Vibrations