Geometry & MOs

Info

ID:	293505
PubChem CID:	117391939
Reduced:	NOS2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	255.021082
ΔH_f, kcal/mol:	-22.37
Dipole, Da:	3.23
IP(EA), eV:	-8.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1SC)C(=O)CNC)SC

DOS

IR

Vibrations