Geometry & MOs

Info

ID:	235349
PubChem CID:	92309531
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	339.151767
ΔH_f, kcal/mol:	73.48
Dipole, Da:	7.64
IP(EA), eV:	-8.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-thiophen-2-yl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@@H]1C)NC2=C(N=C3N2NC=C3C#N)C4=CC(=CC=C4)OC

DOS

IR

Vibrations