Geometry & MOs

Info

ID:	361883
PubChem CID:	127304877
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-90.5
Dipole, Da:	4.57
IP(EA), eV:	-8.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2CCOCC2)C(=O)CCC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations