Geometry & MOs

Info

ID:	263539
PubChem CID:	103376536
Reduced:	NSBr2O2C9H9 (1)
Stoich.:	ABC2D2E9F9 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	-16.04
Dipole, Da:	3.8
IP(EA), eV:	-9.71(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-2-(3-hydroxypropoxy)acetonitrile

Drug info:

PubChemData

Smile

C1=C(SC(=C1Br)Br)C(C#N)OCCCO

DOS

IR

Vibrations