Geometry & MOs

Info

ID:	373728
PubChem CID:	131319400
Reduced:	INO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	167.086607
ΔH_f, kcal/mol:	-41.44
Dipole, Da:	4.39
IP(EA), eV:	-9.76(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(azetidin-3-yl)pyrazol-4-yl]boronic acid

Drug info:

PubChemData

Smile

C1CC(C1)(C2=C(C(=CC=C2)I)C(=O)O)N

DOS

IR

Vibrations