Geometry & MOs

Info

ID:	375035
PubChem CID:	131465280
Reduced:	ClN2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	297.141535
ΔH_f, kcal/mol:	48.47
Dipole, Da:	5.83
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CNC1=CC=CC(=C1Cl)C#N

DOS

IR

Vibrations