Geometry & MOs

Info

ID:	442789
PubChem CID:	135256249
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	197.033292
ΔH_f, kcal/mol:	-38.0
Dipole, Da:	2.63
IP(EA), eV:	-8.22(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dimethyl-2,3-dihydro-[1,4]dithiino[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1NC(CC2)OC)C

DOS

IR

Vibrations