Geometry & MOs

Info

ID:	403880
PubChem CID:	135062360
Reduced:	BO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	295.105922
ΔH_f, kcal/mol:	-205.67
Dipole, Da:	4.99
IP(EA), eV:	-9.26(0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)[C@@]2(CCC(=O)C2)C3=CC=CC=C3

DOS

IR

Vibrations