Geometry & MOs

Info

ID:	413740
PubChem CID:	135086690
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	4.2
IP(EA), eV:	-9.1(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\C(=O)N(C)OC)/CC1=CC=CC=C1

DOS

IR

Vibrations