Geometry & MOs

Info

ID:	48226
PubChem CID:	10538123
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	-7.41
Dipole, Da:	5.24
IP(EA), eV:	-9.83(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,3-dimethyl-5-(1-phenylethyl)pyrazol-4-yl]ethanone

Drug info:

PubChemData

Smile

C=C1C[C@H]2C3[C@H]4CC(=C)CC(C3[C@@H](C1)C2=O)C4=O

DOS

IR

Vibrations