Geometry & MOs

Info

ID:	21219
PubChem CID:	587707
Reduced:	BNO3C9H18 (1)
Stoich.:	ABC3D9E18 (1)
Weight, g/mol:	199.137974
ΔH_f, kcal/mol:	-206.85
Dipole, Da:	2.15
IP(EA), eV:	-9.67(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-butyl-5-methyl-1,3,2-oxazaborolidine-4-carboxylate

Drug info:

PubChemData

Smile

B1(NC(C(O1)C)C(=O)OC)CCCC

DOS

IR

Vibrations