Geometry & MOs

Info

ID:	409620
PubChem CID:	135082402
Reduced:	ClNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	352.205719
ΔH_f, kcal/mol:	-19.65
Dipole, Da:	3.7
IP(EA), eV:	-8.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(4R,5R)-4,5-bis(1-hydroxycyclopentyl)-1,3,2-dioxaborolan-2-yl]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CCN(CC1)C2=CC=CC=C2Cl

DOS

IR

Vibrations