Geometry & MOs

Info

ID:	238616
PubChem CID:	92763414
Reduced:	SN2C7H12 (1)
Stoich.:	AB2C7D12 (1)
Weight, g/mol:	340.160935
ΔH_f, kcal/mol:	23.7
Dipole, Da:	1.12
IP(EA), eV:	-9.07(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5R)-3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CCN[C@H](C)C1=CSC=N1

DOS

IR

Vibrations