Geometry & MOs

Info

ID:	140052
PubChem CID:	52637385
Reduced:	FN2O2H15C19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	405.081096
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	6.86
IP(EA), eV:	-9.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(3-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)NCC3=CC(=CC=C3)F

DOS

IR

Vibrations