Geometry & MOs

Info

ID:	69602
PubChem CID:	47205011
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	233.09644
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	5.37
IP(EA), eV:	-9.69(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCC2=CC=NN2

DOS

IR

Vibrations