Geometry & MOs

Info

ID:	428013
PubChem CID:	135165742
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	4.79
IP(EA), eV:	-8.7(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2CCC(C2)O

DOS

IR

Vibrations