Geometry & MOs

Info

ID:	348878
PubChem CID:	127274526
Reduced:	SN2O2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	374.184172
ΔH_f, kcal/mol:	-53.94
Dipole, Da:	3.19
IP(EA), eV:	-9.59(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CN=CS2

DOS

IR

Vibrations