Geometry & MOs

Info

ID:	171746
PubChem CID:	75422239
Reduced:	O2F3N3H12C16 (1)
Stoich.:	A2B3C3D12E16 (1)
Weight, g/mol:	225.090212
ΔH_f, kcal/mol:	-177.66
Dipole, Da:	5.72
IP(EA), eV:	-8.9(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxyazetidin-1-yl)quinoline-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)NC(=O)N2)NC(=O)C3=C(C=C(C=C3F)F)F

DOS

IR

Vibrations