Geometry & MOs

Info

ID:	54337
PubChem CID:	17044740
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-86.78
Dipole, Da:	8.72
IP(EA), eV:	-8.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC)/NCC(OC)OC

DOS

IR

Vibrations