Geometry & MOs

Info

ID:	42382
PubChem CID:	8149495
Reduced:	FN3C22H26 (1)
Stoich.:	AB3C22D26 (1)
Weight, g/mol:	352.218901
ΔH_f, kcal/mol:	16.06
Dipole, Da:	3.52
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NCC2=C(N(N=C2C)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations