Geometry & MOs

Info

ID:	183396
PubChem CID:	77018044
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-68.07
Dipole, Da:	7.16
IP(EA), eV:	-10.15(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations