Geometry & MOs

Info

ID:	139052
PubChem CID:	52465592
Reduced:	N2O3C22H38 (1)
Stoich.:	A2B3C22D38 (1)
Weight, g/mol:	291.218487
ΔH_f, kcal/mol:	-202.66
Dipole, Da:	2.28
IP(EA), eV:	-9.36(1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCCOC(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations