Geometry & MOs

Info

ID:	28384
PubChem CID:	827326
Reduced:	ON3C5H5 (2)
Stoich.:	AB3C5D5 (2)
Weight, g/mol:	313.11365
ΔH_f, kcal/mol:	81.77
Dipole, Da:	7.21
IP(EA), eV:	-9.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)ethoxy]-6H-benzo[b][1]benzothiepin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NNC(=O)NC2=NON=C2N

DOS

IR

Vibrations