Geometry & MOs

Info

ID:	411050
PubChem CID:	135083859
Reduced:	O3C14H26 (1)
Stoich.:	A3B14C26 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-176.54
Dipole, Da:	2.59
IP(EA), eV:	-9.54(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-[(3-methoxyphenyl)methylidene]-5,5-dimethyl-4H-pyrazol-1-ium-3-olate

Drug info:

PubChemData

Smile

CCCCCC[C@]1(C(=O)[C@@H](OC(O1)(C)C)C)C

DOS

IR

Vibrations