Geometry & MOs

Info

ID:	285640
PubChem CID:	104115288
Reduced:	NO2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	214.077599
ΔH_f, kcal/mol:	-133.77
Dipole, Da:	2.83
IP(EA), eV:	-8.94(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,4-thiazepan-4-yl)-1,3-oxazol-4-yl]methanol

Drug info:

PubChemData

Smile

COCCN(CCOC)C1=NC(=CO1)CO

DOS

IR

Vibrations