Geometry & MOs

Info

ID:	24681
PubChem CID:	612175
Reduced:	BNOC14H22 (1)
Stoich.:	ABCD14E22 (1)
Weight, g/mol:	231.179444
ΔH_f, kcal/mol:	-98.24
Dipole, Da:	3.04
IP(EA), eV:	-8.9(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3,4-dimethyl-5-phenyl-1,3,2-oxazaborolidine

Drug info:

PubChemData

Smile

B1(N(C(C(O1)C2=CC=CC=C2)C)C)CCCC

DOS

IR

Vibrations