Geometry & MOs

Info

ID:	371407
PubChem CID:	127346277
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	229.11365
ΔH_f, kcal/mol:	-68.39
Dipole, Da:	6.03
IP(EA), eV:	-8.4(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-3-yl)-1-(1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)CC3CCOC3

DOS

IR

Vibrations