Geometry & MOs

Info

ID:	128829
PubChem CID:	51060160
Reduced:	N2O5H18C25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	467.19574
ΔH_f, kcal/mol:	-76.85
Dipole, Da:	8.39
IP(EA), eV:	-8.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-N'-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=C(C=C(C=C4)O)O

DOS

IR

Vibrations