Geometry & MOs

Info

ID:	80919
PubChem CID:	49853889
Reduced:	F3O3N4C20H23 (1)
Stoich.:	A3B3C4D20E23 (1)
Weight, g/mol:	111.12193
ΔH_f, kcal/mol:	-239.02
Dipole, Da:	5.01
IP(EA), eV:	-8.94(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-methylazaborolidine

Drug info:

PubChemData

Smile

C1CN2C(=O)C=C(N=C2N([C@@H]1C(F)(F)F)C[C@H](C3=CC=CC=C3)O)N4CCOCC4

DOS

IR

Vibrations