Geometry & MOs

Info

ID:	411371
PubChem CID:	135084194
Reduced:	BrNSO2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	250.076057
ΔH_f, kcal/mol:	-10.33
Dipole, Da:	5.03
IP(EA), eV:	-9.48(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-chloroethynyl)phenyl]methoxy]oxane

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C#CC1=CC=C(C=C1)Br

DOS

IR

Vibrations