Geometry & MOs

Info

ID:	383165
PubChem CID:	134974736
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	308.21589
ΔH_f, kcal/mol:	-192.54
Dipole, Da:	1.25
IP(EA), eV:	-9.47(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoate

Drug info:

PubChemData

Smile

CC1(OC2[C@H](O[C@@H](C2O1)OCC3=CC=CC=C3)/C=C/CO)C

DOS

IR

Vibrations