Geometry & MOs

Info

ID:	192089
PubChem CID:	78227106
Reduced:	O2N3H19C23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	202.077599
ΔH_f, kcal/mol:	105.96
Dipole, Da:	3.01
IP(EA), eV:	-8.36(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylpropoxy)-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1C(NNC1C2=C3C=CC=CC3=CC4=CC=CC=C42)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations