Geometry & MOs

Info

ID:	260134
PubChem CID:	103182446
Reduced:	F3N3C14H20 (1)
Stoich.:	A3B3C14D20 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-161.61
Dipole, Da:	4.51
IP(EA), eV:	-8.85(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-3,5-dimethylpyridin-2-yl)methyl]-3-ethylpiperazine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CN2CCCC(C2)C(F)(F)F

DOS

IR

Vibrations