Geometry & MOs

Info

ID:	294306
PubChem CID:	117452418
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-80.3
Dipole, Da:	2.3
IP(EA), eV:	-8.72(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1C3(CCCC3)N)OCCO2)Cl

DOS

IR

Vibrations