Geometry & MOs

Info

ID:	294779
PubChem CID:	117490653
Reduced:	FNO3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-146.3
Dipole, Da:	1.37
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=C(C=C2)OC3CCOCC3)F)N=C=O

DOS

IR

Vibrations