Geometry & MOs

Info

ID:	147295
PubChem CID:	53786950
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	397.171165
ΔH_f, kcal/mol:	-34.92
Dipole, Da:	2.15
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]ethyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(COC(=O)NC1=CC=CC=C1)NCC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations