Geometry & MOs

Info

ID:	25853
PubChem CID:	631906
Reduced:	NOC11H15 (2)
Stoich.:	ABC11D15 (2)
Weight, g/mol:	460.306853
ΔH_f, kcal/mol:	-52.66
Dipole, Da:	1.64
IP(EA), eV:	-8.08(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-[2-butyl-3-(4-phenylbutan-2-yl)-1,3,2-oxazaborolidin-5-yl]-3H-1,3,2-benzoxazaborinin-4-one

Drug info:

PubChemData

Smile

C1CCNC2=CC=CC=C2OCCCCCOC3=CC=CC=C3NCC1

DOS

IR

Vibrations