Geometry & MOs

Info

ID:	315635
PubChem CID:	126628290
Reduced:	F3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	288.218821
ΔH_f, kcal/mol:	-294.17
Dipole, Da:	4.76
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4,4-dimethyl-1,4-diazonan-4-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCCC(F)(F)F)C(=O)C2CCC(CC2)O

DOS

IR

Vibrations