Geometry & MOs

Info

ID:	18945
PubChem CID:	551395
Reduced:	BNO2C26H44 (1)
Stoich.:	ABC2D26E44 (1)
Weight, g/mol:	413.34651
ΔH_f, kcal/mol:	-180.84
Dipole, Da:	3.09
IP(EA), eV:	-9.12(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-pentadec-1-enyl-2-phenyl-1,3,2-dioxaborinan-5-amine

Drug info:

PubChemData

Smile

B1(OCC(C(O1)C=CCCCCCCCCCCCCC)NCC)C2=CC=CC=C2

DOS

IR

Vibrations