Geometry & MOs

Info

ID:	287144
PubChem CID:	104233789
Reduced:	FON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-6.54
Dipole, Da:	5.57
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-fluoro-6-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C2=C(C=NN2)CNC3CC3

DOS

IR

Vibrations