Geometry & MOs

Info

ID:	401228
PubChem CID:	135050647
Reduced:	BeBrOC4H7 (1)
Stoich.:	ABCD4E7 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	17.07
Dipole, Da:	3.42
IP(EA), eV:	-7.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino] methanesulfonate

Drug info:

PubChemData

Smile

[Be+2].CCC[C-]=O.[Br-]

DOS

IR

Vibrations