Geometry & MOs

Info

ID:	183136
PubChem CID:	76983309
Reduced:	ClNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	237.093583
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	3.79
IP(EA), eV:	-8.75(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-2-methylphenyl)sulfanyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C)CNCC1=CC=C(C=C1)OCC=CCl

DOS

IR

Vibrations