Geometry & MOs

Info

ID:	345389
PubChem CID:	127269689
Reduced:	ON3C9H16 (2)
Stoich.:	AB3C9D16 (2)
Weight, g/mol:	386.130028
ΔH_f, kcal/mol:	-42.17
Dipole, Da:	3.3
IP(EA), eV:	-8.32(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2CCN(CC2)C(=O)NC3=NN(C=C3)CCOC

DOS

IR

Vibrations