Geometry & MOs

Info

ID:	233617
PubChem CID:	91146219
Reduced:	N3O4C29H47 (1)
Stoich.:	A3B4C29D47 (1)
Weight, g/mol:	304.116373
ΔH_f, kcal/mol:	-201.68
Dipole, Da:	7.44
IP(EA), eV:	-9.42(0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[hydroxy-(3-methoxyphenyl)boranyl]oxy-5-methoxypyridin-1-ium-3-yl]boronic acid

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=CC=C1)[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C=C(C)C(=O)O)C(C)C)C(C)(C)C)NC

DOS

IR

Vibrations