Geometry & MOs

Info

ID:	42380
PubChem CID:	8149493
Reduced:	FON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	352.218901
ΔH_f, kcal/mol:	-55.38
Dipole, Da:	4.04
IP(EA), eV:	-7.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl-[(1S)-1-phenylbutyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1F)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations