Geometry & MOs

Info

ID:	259764
PubChem CID:	103173864
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	13.09
Dipole, Da:	4.92
IP(EA), eV:	-9.32(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CN2C=C(N=N2)CCN)OC

DOS

IR

Vibrations