Geometry & MOs

Info

ID:	183398
PubChem CID:	77018046
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-76.19
Dipole, Da:	5.29
IP(EA), eV:	-9.94(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-dioxo-3-propyl-1,3-diazinan-1-yl)methyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCN1CCC(=O)N(C1=O)CCC#N

DOS

IR

Vibrations