Geometry & MOs

Info

ID:	183274
PubChem CID:	77001236
Reduced:	SN2O2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	5.03
IP(EA), eV:	-9.74(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-5-ethyl-6-hydroxy-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC(=O)C(=C)C(=O)N2

DOS

IR

Vibrations