Geometry & MOs

Info

ID:	360700
PubChem CID:	127301345
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-89.03
Dipole, Da:	9.96
IP(EA), eV:	-9.1(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2CCOCC2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations