Geometry & MOs

Info

ID:	372320
PubChem CID:	131296169
Reduced:	NF2O2H5C9 (1)
Stoich.:	AB2C2D5E9 (1)
Weight, g/mol:	182.035924
ΔH_f, kcal/mol:	-117.22
Dipole, Da:	3.83
IP(EA), eV:	-10.26(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-2-chloroimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1O)C#N)C(F)F)C=O

DOS

IR

Vibrations