Geometry & MOs

Info

ID:	407557
PubChem CID:	135080304
Reduced:	BrF3C10H12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	160.133754
ΔH_f, kcal/mol:	-144.94
Dipole, Da:	4.45
IP(EA), eV:	-10.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-methoxy-5-methyl-1-oxohexan-3-yl)azanium

Drug info:

PubChemData

Smile

C1CCC(CC1)C=C=C(C(F)(F)F)Br

DOS

IR

Vibrations