Geometry & MOs

Info

ID:	183395
PubChem CID:	77017370
Reduced:	FOSN4H9C11 (1)
Stoich.:	ABCD4E9F11 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	26.41
Dipole, Da:	2.26
IP(EA), eV:	-9.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(=NO)N)SC2=NC=NC=C2

DOS

IR

Vibrations