Geometry & MOs

Info

ID:	235345
PubChem CID:	92309511
Reduced:	ClN5C20H22 (1)
Stoich.:	AB5C20D22 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	104.33
Dipole, Da:	7.65
IP(EA), eV:	-8.5(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-(4-methoxyphenyl)-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)Cl

DOS

IR

Vibrations