Geometry & MOs

Info

ID:	48447
PubChem CID:	10584680
Reduced:	ClOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	213.153624
ΔH_f, kcal/mol:	-50.28
Dipole, Da:	2.86
IP(EA), eV:	-8.87(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3,6,2-dioxazaborocan-2-yl)-4-methylpentan-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCCCCCCl

DOS

IR

Vibrations