Geometry & MOs

Info

ID:	151573
PubChem CID:	53837806
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	419.281087
ΔH_f, kcal/mol:	-137.41
Dipole, Da:	4.58
IP(EA), eV:	-9.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,3-ditert-butyl-6-methyl-1,1-dipyridin-2-yl-2,5,6,7-tetrahydroindazol-1-ium-4-one

Drug info:

PubChemData

Smile

C=C(CCCOCCC1CO1)C(=O)O

DOS

IR

Vibrations