Geometry & MOs

Info

ID:	197959
PubChem CID:	79022084
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-18.84
Dipole, Da:	5.86
IP(EA), eV:	-8.63(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CN3C(=CSC3=N2)CC(=O)O)C

DOS

IR

Vibrations