Geometry & MOs

Info

ID:	167879
PubChem CID:	74889156
Reduced:	BrN2O2H7C8 (1)
Stoich.:	AB2C2D7E8 (1)
Weight, g/mol:	288.200908
ΔH_f, kcal/mol:	-42.35
Dipole, Da:	2.09
IP(EA), eV:	-9.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=C(C=N2)Br

DOS

IR

Vibrations