Geometry & MOs

Info

ID:	54336
PubChem CID:	17044714
Reduced:	O2N3F4H17C24 (1)
Stoich.:	A2B3C4D17E24 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-174.3
Dipole, Da:	10.2
IP(EA), eV:	-8.38(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[1-(2,2-dimethoxyethylamino)ethylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

C/C(=C/1\C(=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=CC=C3)/NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations