Geometry & MOs

Info

ID:	215870
PubChem CID:	85085368
Reduced:	C13H22 (1)
Stoich.:	A13B22 (1)
Weight, g/mol:	181.085127
ΔH_f, kcal/mol:	-20.01
Dipole, Da:	0.49
IP(EA), eV:	-9.03(1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CCCC(C2C1CCC2)(C)C

DOS

IR

Vibrations