Geometry & MOs

Info

ID:	221400
PubChem CID:	85272480
Reduced:	NOSH11C14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	245.119798
ΔH_f, kcal/mol:	34.16
Dipole, Da:	4.17
IP(EA), eV:	-9.79(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2-(1-methylpiperidin-4-yl)sulfanyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CC(=CC2=CN=CS2)C(=O)C3=CC=CC=C31

DOS

IR

Vibrations