Geometry & MOs

Info

ID:	28381
PubChem CID:	827298
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	347.111063
ΔH_f, kcal/mol:	-69.4
Dipole, Da:	4.83
IP(EA), eV:	-8.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-3-chloro-6-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzothiepin-5-ol

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2)N)OC

DOS

IR

Vibrations