Geometry & MOs

Info

ID:	267964
PubChem CID:	103591352
Reduced:	FNSC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	264.102254
ΔH_f, kcal/mol:	-34.37
Dipole, Da:	2.85
IP(EA), eV:	-8.33(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)SC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations