Geometry & MOs

Info

ID:	68624
PubChem CID:	46508789
Reduced:	FOSN4H19C23 (1)
Stoich.:	ABCD4E19F23 (1)
Weight, g/mol:	419.120068
ΔH_f, kcal/mol:	43.85
Dipole, Da:	4.04
IP(EA), eV:	-9.02(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)/C=C/C2=CC=C(S2)C3=CC=C(C=C3)F)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations