Geometry & MOs

Info

ID:	276912
PubChem CID:	103825731
Reduced:	ClFN5C9H9 (1)
Stoich.:	ABC5D9E9 (1)
Weight, g/mol:	341.03889
ΔH_f, kcal/mol:	46.39
Dipole, Da:	1.61
IP(EA), eV:	-9.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-[(1-propylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)CNCC2=NNN=N2

DOS

IR

Vibrations