Geometry & MOs

Info

ID:	183664
PubChem CID:	77052590
Reduced:	BrOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	308.0558
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	3.54
IP(EA), eV:	-9.64(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(bromomethyl)-2-ethylbutyl]sulfanyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC(CC)(COCC=CC)CBr

DOS

IR

Vibrations