Geometry & MOs

Info

ID:	390690
PubChem CID:	135000383
Reduced:	BO2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	382.23154
ΔH_f, kcal/mol:	-325.24
Dipole, Da:	5.24
IP(EA), eV:	-8.82(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-benzylidene-3-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C/C=C\[C@H](B2OC(C(O2)(C)C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations