Geometry & MOs

Info

ID:	340580
PubChem CID:	127262591
Reduced:	NCl2F4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	192.107008
ΔH_f, kcal/mol:	-225.6
Dipole, Da:	2.32
IP(EA), eV:	-9.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pyrrolidin-1-ylpyridin-2-yl)boronic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CN)F)Cl)C(F)(F)F.Cl

DOS

IR

Vibrations