Geometry & MOs

Info

ID:	139620
PubChem CID:	52572031
Reduced:	NO2F3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	409.240365
ΔH_f, kcal/mol:	-230.37
Dipole, Da:	2.53
IP(EA), eV:	-8.83(0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[3-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]propyl]-methylazanium

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations