Geometry & MOs

Info

ID:	437526
PubChem CID:	135226513
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-24.55
Dipole, Da:	5.54
IP(EA), eV:	-8.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(7-cyanoimidazo[1,2-b]pyrazol-5-yl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C=C(C2=NC=CN21)CN

DOS

IR

Vibrations