Geometry & MOs

Info

ID:	407651
PubChem CID:	135080401
Reduced:	O4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	173.106325
ΔH_f, kcal/mol:	-232.42
Dipole, Da:	4.96
IP(EA), eV:	-9.87(1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-deuteriophenyl)-3,5-dimethylpyrazole

Drug info:

PubChemData

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C[C@]1(CC[C@@]2([C@@](O1)([C@H](CCC2(C)C)O)C)O)O

DOS

IR

Vibrations