Geometry & MOs

Info

ID:	402946
PubChem CID:	135057991
Reduced:	ClNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	459.296348
ΔH_f, kcal/mol:	-74.22
Dipole, Da:	4.58
IP(EA), eV:	-9.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(dimethylamino)methyl]-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CNC2=C1C=CC(=C2)Cl

DOS

IR

Vibrations