Geometry & MOs

Info

ID:	405192
PubChem CID:	135072930
Reduced:	O4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	245.085938
ΔH_f, kcal/mol:	-173.95
Dipole, Da:	2.67
IP(EA), eV:	-10.25(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCOC1=O)CCC=C

DOS

IR

Vibrations