Geometry & MOs

Info

ID:	285779
PubChem CID:	104131069
Reduced:	F3N4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	342.03414
ΔH_f, kcal/mol:	-99.26
Dipole, Da:	7.76
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-iodopyrazol-1-yl)-6-methylpyridin-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=CC(=NC(=C1)C)N2C=C(C=N2)C(F)(F)F

DOS

IR

Vibrations