Geometry & MOs

Info

ID:	145797
PubChem CID:	53594016
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	3.28
IP(EA), eV:	-8.93(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-hydroxy-3,3-dimethylbutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC(=O)N2CCCCC2)C(=O)COC

DOS

IR

Vibrations