Geometry & MOs

Info

ID:	293041
PubChem CID:	117370935
Reduced:	OSN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	45.67
Dipole, Da:	2.54
IP(EA), eV:	-8.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethyl-1,3-benzoxathiol-7-yl)-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

C1CC2=C(C=CC=C2SC1)C3=NOC(=N3)CN

DOS

IR

Vibrations