Geometry & MOs

Info

ID:	396138
PubChem CID:	135027523
Reduced:	ClSN2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	263.107005
ΔH_f, kcal/mol:	80.54
Dipole, Da:	2.72
IP(EA), eV:	-9.07(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-fluoro-3-(4-nitrophenyl)pyrazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(N=CN=C2Cl)SC3=CC=CC=C3

DOS

IR

Vibrations