Geometry & MOs

Info

ID:	372965
PubChem CID:	131307628
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	221.083413
ΔH_f, kcal/mol:	-111.7
Dipole, Da:	5.41
IP(EA), eV:	-8.87(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-6-methylsulfonyl-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(CCC2)N(C)C)C(=O)O

DOS

IR

Vibrations