Geometry & MOs

Info

ID:	128861
PubChem CID:	51061004
Reduced:	BrN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	489.18009
ΔH_f, kcal/mol:	-10.02
Dipole, Da:	6.6
IP(EA), eV:	-8.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-N-naphthalen-1-yloxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC#C)OC

DOS

IR

Vibrations