Geometry & MOs

Info

ID:	204260
PubChem CID:	79936532
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	-131.02
Dipole, Da:	3.1
IP(EA), eV:	-8.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethyl-2,5-dioxopiperazin-1-yl)methyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1S(=O)(=O)C3=CC=C(O3)CO

DOS

IR

Vibrations