Geometry & MOs

Info

ID:	204256
PubChem CID:	79936460
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	-72.07
Dipole, Da:	2.37
IP(EA), eV:	-8.54(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(aminomethyl)pyridin-4-yl]methyl]-4-methylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

CCCN1CC(=O)N(CC1=O)CC2=CC=CC=C2N

DOS

IR

Vibrations