Geometry & MOs

Info

ID:	130393
PubChem CID:	51075807
Reduced:	N2O3C13H24 (1)
Stoich.:	A2B3C13D24 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-165.07
Dipole, Da:	2.15
IP(EA), eV:	-9.61(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(4-pyridin-4-ylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)C(=O)C1CCOCC1

DOS

IR

Vibrations