Geometry & MOs

Info

ID:	173202
PubChem CID:	75609956
Reduced:	ON2C24H38 (1)
Stoich.:	AB2C24D38 (1)
Weight, g/mol:	501.08004
ΔH_f, kcal/mol:	-43.18
Dipole, Da:	5.32
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-[2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NN=C(C)C=CC1=CC=CC=C1

DOS

IR

Vibrations