Geometry & MOs

Info

ID:	407637
PubChem CID:	135080386
Reduced:	NOF4C11H17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	170.071822
ΔH_f, kcal/mol:	-278.0
Dipole, Da:	4.9
IP(EA), eV:	-10.09(0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1H-pyrazol-2-ium-5-yl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)N(C1CCC(CC1)F)C(=O)C(F)(F)F

DOS

IR

Vibrations