Geometry & MOs

Info

ID:	259765
PubChem CID:	103173870
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-88.84
Dipole, Da:	1.66
IP(EA), eV:	-9.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dimethoxypyridin-2-yl)methyl]-3-ethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)N(CCN1)CC2=NC=CC(=C2OC)OC

DOS

IR

Vibrations