Geometry & MOs

Info

ID:	249628
PubChem CID:	103090974
Reduced:	OSC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	-35.63
Dipole, Da:	3.37
IP(EA), eV:	-9.06(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(1-phenylpyrazol-4-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=C(S1)C(C)(C)C)/C(=O)C

DOS

IR

Vibrations