Geometry & MOs

Info

ID:	145113
PubChem CID:	53465403
Reduced:	FN4O5C29H31 (1)
Stoich.:	AB4C5D29E31 (1)
Weight, g/mol:	416.20124
ΔH_f, kcal/mol:	-166.65
Dipole, Da:	9.02
IP(EA), eV:	-8.45(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1C)C)COC2=CC=C(C=C2)C3=NN(C=C3C4=CC=NC=C4)CCF.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations