Geometry & MOs

Info

ID:	371694
PubChem CID:	131270635
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	299.9932
ΔH_f, kcal/mol:	-63.17
Dipole, Da:	2.34
IP(EA), eV:	-9.08(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromothiophen-2-yl)-3-morpholin-4-ylpropanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1CC2=C(CCN1)SC=C2

DOS

IR

Vibrations