Geometry & MOs

Info

ID:	403885
PubChem CID:	135062366
Reduced:	KH2O2N3C4 (1)
Stoich.:	AB2C2D3E4 (1)
Weight, g/mol:	238.146999
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	8.49
IP(EA), eV:	-9.67(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E)-3-benzylbuta-1,3-dienyl]-3,5-dimethylpyrazole

Drug info:

PubChemData

Smile

C1=C(C=NN=N1)C(=O)[O-].[K+]

DOS

IR

Vibrations