Geometry & MOs

Info

ID:	69633
PubChem CID:	47205060
Reduced:	OCl2N3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	267.057468
ΔH_f, kcal/mol:	8.19
Dipole, Da:	3.75
IP(EA), eV:	-9.84(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations