Geometry & MOs

Info

ID:	167160
PubChem CID:	74789108
Reduced:	BClN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	286.185258
ΔH_f, kcal/mol:	-134.26
Dipole, Da:	3.72
IP(EA), eV:	-8.5(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,2,3,4-tetrahydro-1,5-naphthyridine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=NC(=C(C=C2)N)Cl

DOS

IR

Vibrations