Geometry & MOs

Info

ID:	133846
PubChem CID:	51600230
Reduced:	FN4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	288.218821
ΔH_f, kcal/mol:	32.27
Dipole, Da:	5.82
IP(EA), eV:	-8.83(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2S)-1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidin-1-ium

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)F)N2C=NC=C2C3=CN(N=C3C)C

DOS

IR

Vibrations