Geometry & MOs

Info

ID:	246565
PubChem CID:	103061293
Reduced:	ON5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	14.94
Dipole, Da:	4.58
IP(EA), eV:	-8.92(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxan-4-ol

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CN=C(C=N2)NN

DOS

IR

Vibrations