Geometry & MOs

Info

ID:	407891
PubChem CID:	135080646
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	255.99213
ΔH_f, kcal/mol:	-144.68
Dipole, Da:	4.41
IP(EA), eV:	-11.29(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-bromo-2-ethylsulfanylethenyl]-4-methylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C#N)OC(=O)OC(C)(C)C

DOS

IR

Vibrations