Geometry & MOs

Info

ID:	312408
PubChem CID:	126604716
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	325.153407
ΔH_f, kcal/mol:	-83.28
Dipole, Da:	1.54
IP(EA), eV:	-8.72(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(methoxymethylsulfanyl)butylidene]-9,9-dimethyl-4,5,6,7-tetrahydrocyclohepta[e]thiazine

Drug info:

PubChemData

Smile

COCCOCOC1=CC=C(C=C1)C2C[C@@H]2N

DOS

IR

Vibrations