Geometry & MOs

Info

ID:	403924
PubChem CID:	135062542
Reduced:	ClON4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	256.18459
ΔH_f, kcal/mol:	11.32
Dipole, Da:	7.21
IP(EA), eV:	-9.13(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(N2)N=C(C=C3)Cl)CN(C)C

DOS

IR

Vibrations