Geometry & MOs

Info

ID:	294780
PubChem CID:	117490785
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-13.72
Dipole, Da:	4.71
IP(EA), eV:	-8.22(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methoxy-3-(thiolan-3-yloxy)phenyl]-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CC(=C(C=C2)OC)OC3CCSC3)N

DOS

IR

Vibrations