Geometry & MOs

Info

ID:	414121
PubChem CID:	135087075
Reduced:	PO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	274.087291
ΔH_f, kcal/mol:	-154.52
Dipole, Da:	3.77
IP(EA), eV:	-9.79(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)-2-methylprop-2-en-1-one

Drug info:

PubChemData

Smile

C/C(=C/C(=O)OC)/OP(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations