Geometry & MOs

Info

ID:	375036
PubChem CID:	131465281
Reduced:	BClO2N3C13H21 (1)
Stoich.:	ABC2D3E13F21 (1)
Weight, g/mol:	411.209614
ΔH_f, kcal/mol:	-156.74
Dipole, Da:	5.28
IP(EA), eV:	-8.33(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2NCCN)Cl

DOS

IR

Vibrations