Geometry & MOs

Info

ID:	361890
PubChem CID:	127304886
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	394.165935
ΔH_f, kcal/mol:	-58.15
Dipole, Da:	6.1
IP(EA), eV:	-8.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCCCC3CN4CCOCC4

DOS

IR

Vibrations