Geometry & MOs

Info

ID:	242767
PubChem CID:	99206171
Reduced:	O3N5H23C24 (1)
Stoich.:	A3B5C23D24 (1)
Weight, g/mol:	416.14193
ΔH_f, kcal/mol:	32.38
Dipole, Da:	2.62
IP(EA), eV:	-9.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetohydrazide

Drug info:

PubChemData

Smile

COCCOC1=CC=CC(=C1)C(=O)NNC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations