Geometry & MOs

Info

ID:	411399
PubChem CID:	135084222
Reduced:	N3O3H7C9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	193.054638
ΔH_f, kcal/mol:	36.9
Dipole, Da:	3.93
IP(EA), eV:	-9.98(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-(2-nitrophenyl)ethenyl]boronic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=NC=C1C#C)[N+](=O)[O-]

DOS

IR

Vibrations