Geometry & MOs

Info

ID:	243927
PubChem CID:	99300609
Reduced:	S2F3O3N4H11C16 (1)
Stoich.:	A2B3C3D4E11F16 (1)
Weight, g/mol:	400.146617
ΔH_f, kcal/mol:	-152.89
Dipole, Da:	7.53
IP(EA), eV:	-9.38(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=C(N=CC=C3)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations