Geometry & MOs

Info

ID:	138543
PubChem CID:	52382936
Reduced:	BrC10H15 (1)
Stoich.:	AB10C15 (1)
Weight, g/mol:	346.14769
ΔH_f, kcal/mol:	36.58
Dipole, Da:	1.86
IP(EA), eV:	-9.88(0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-methoxyphenyl)methyl-[(4-methylsulfonylphenyl)methyl]-prop-2-enylazanium

Drug info:

PubChemData

Smile

C[C@]1(C[C@@H]1Br)C#CC(C)(C)C

DOS

IR

Vibrations