Geometry & MOs

Info

ID:	280923
PubChem CID:	103851970
Reduced:	ON3F4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	294.088353
ΔH_f, kcal/mol:	-159.35
Dipole, Da:	4.83
IP(EA), eV:	-9.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-5-nitrophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCCC2=NC=NO2)C(F)(F)F)F

DOS

IR

Vibrations