Geometry & MOs

Info

ID:	167157
PubChem CID:	74789105
Reduced:	BFNO3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	291.139036
ΔH_f, kcal/mol:	-220.61
Dipole, Da:	4.74
IP(EA), eV:	-9.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=C(N=C(C=C2)F)CO

DOS

IR

Vibrations