Geometry & MOs

Info

ID:	39310
PubChem CID:	8140213
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	335.128134
ΔH_f, kcal/mol:	-30.08
Dipole, Da:	6.45
IP(EA), eV:	-9.12(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(3-fluorophenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3CN(C)C

DOS

IR

Vibrations