Geometry & MOs

Info

ID:	167159
PubChem CID:	74789107
Reduced:	BN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	280.114986
ΔH_f, kcal/mol:	-215.68
Dipole, Da:	7.03
IP(EA), eV:	-8.73(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-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=NC(=C(C=C2)N)C(=O)O

DOS

IR

Vibrations