Geometry & MOs

Info

ID:	174453
PubChem CID:	75765376
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	307.192272
ΔH_f, kcal/mol:	-138.0
Dipole, Da:	11.7
IP(EA), eV:	-9.25(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[phenyl(pyridin-2-yl)methyl]-[(1,3,5-trimethylpyrazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CC([NH+](C1)C2CCC(CC2)O)C(=O)[O-]

DOS

IR

Vibrations