Geometry & MOs

Info

ID:	293183
PubChem CID:	117376369
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-88.92
Dipole, Da:	6.32
IP(EA), eV:	-8.67(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-piperidin-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-6-ol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)C=O)C2CCCCN2

DOS

IR

Vibrations