Geometry & MOs

Info

ID:	150418
PubChem CID:	53790108
Reduced:	NOC8H9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	674.415569
ΔH_f, kcal/mol:	3.3
Dipole, Da:	3.44
IP(EA), eV:	-8.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(1,3-dihydrobenzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-N'-methyl-N-(3-octadecyl-2,5-dioxopyrrol-1-yl)-2-oxoacetohydrazide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C=CCC=O

DOS

IR

Vibrations