Geometry & MOs

Info

ID:	128595
PubChem CID:	51051573
Reduced:	FN2O3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	240.057802
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	2.58
IP(EA), eV:	-8.59(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazole-3,5-diamine

Drug info:

PubChemData

Smile

COC(=O)C1=C2C=CC=CC=C2C3=C1NC(NC3=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations