Geometry & MOs

Info

ID:	69615
PubChem CID:	47205030
Reduced:	ClO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	263.107005
ΔH_f, kcal/mol:	-34.73
Dipole, Da:	3.22
IP(EA), eV:	-9.53(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)-N-(1H-pyrazol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=NN1)OC2=CC(=CC=C2)Cl

DOS

IR

Vibrations