Geometry & MOs

Info

ID:	183397
PubChem CID:	77018045
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	-81.43
Dipole, Da:	8.23
IP(EA), eV:	-10.04(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dioxo-3-propyl-1,3-diazinan-1-yl)propanenitrile

Drug info:

PubChemData

Smile

CCCN1CCC(=O)N(C1=O)CC(C)C#N

DOS

IR

Vibrations