Geometry & MOs

Info

ID:	55677
PubChem CID:	17395806
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	339.138305
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	6.54
IP(EA), eV:	-9.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)OC(CC)C(=O)NC2=NOC(=C2)C

DOS

IR

Vibrations