Geometry & MOs

Info

ID:	413836
PubChem CID:	135086786
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	246.055991
ΔH_f, kcal/mol:	-25.17
Dipole, Da:	3.49
IP(EA), eV:	-9.15(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-1-pyrazol-1-ylbut-2-en-1-one

Drug info:

PubChemData

Smile

CC/C(=C\C(=O)N(C)OC)/C1=CC=CC=C1

DOS

IR

Vibrations