Geometry & MOs

Info

ID:	28376
PubChem CID:	827273
Reduced:	SN2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	341.14495
ΔH_f, kcal/mol:	44.35
Dipole, Da:	3.77
IP(EA), eV:	-7.94(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6R)-8-methoxy-6H-benzo[c][1,5]benzoxathiepin-6-yl]-1-methylpiperidine

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)[C@@H](CC3=CC=CC=C3S2)N4CCN(CC4)C

DOS

IR

Vibrations