Geometry & MOs

Info

ID:	309072
PubChem CID:	126536063
Reduced:	ON10H26C29 (1)
Stoich.:	AB10C26D29 (1)
Weight, g/mol:	187.077933
ΔH_f, kcal/mol:	197.33
Dipole, Da:	10.64
IP(EA), eV:	-7.92(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-propan-2-ylsulfinylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7)NN4)/N=C23

DOS

IR

Vibrations