Geometry & MOs

Info

ID:	349974
PubChem CID:	127276779
Reduced:	OSN2C7H11 (2)
Stoich.:	ABC2D7E11 (2)
Weight, g/mol:	239.109233
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	6.45
IP(EA), eV:	-8.56(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CCOC1=NN=C(S1)CN2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations