Geometry & MOs

Info

ID:	202429
PubChem CID:	79671694
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-74.55
Dipole, Da:	4.23
IP(EA), eV:	-8.79(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CNCC1=CC=CC=C1SCC(CO)O

DOS

IR

Vibrations