Geometry & MOs

Info

ID:	174983
PubChem CID:	75841664
Reduced:	FN4C26H37 (1)
Stoich.:	AB4C26D37 (1)
Weight, g/mol:	352.250121
ΔH_f, kcal/mol:	30.61
Dipole, Da:	14.39
IP(EA), eV:	-5.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-butylphenyl)pyrazol-4-yl]methyl-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]azanium

Drug info:

PubChemData

Smile

C1CC2(CCN(C2)C3CC[NH+](CC3)CC4=CC=CC=N4)C[NH+](C1)CC5=CC=C(C=C5)F

DOS

IR

Vibrations