Geometry & MOs

Info

ID:	201064
PubChem CID:	79484565
Reduced:	ClFN3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	249.103275
ΔH_f, kcal/mol:	7.16
Dipole, Da:	1.19
IP(EA), eV:	-9.53(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C(C=NN2)CN)Cl)F

DOS

IR

Vibrations