Geometry & MOs

Info

ID:	149531
PubChem CID:	53789204
Reduced:	O6C25H40 (1)
Stoich.:	A6B25C40 (1)
Weight, g/mol:	245.173942
ΔH_f, kcal/mol:	-334.99
Dipole, Da:	4.29
IP(EA), eV:	-9.79(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dihydroxyhexyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)O[C@H]1C[C@H](C(=O)[C@H]2[C@H]1[C@H]([C@H](CC2)C)CCC3CC[C@@H](OC3=O)O)C

DOS

IR

Vibrations