Geometry & MOs

Info

ID:	130489
PubChem CID:	51090952
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	5.9
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)N2CCCCC2)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations