Geometry & MOs

Info

ID:	85646
PubChem CID:	49877847
Reduced:	N3O5H25C26 (1)
Stoich.:	A3B5C25D26 (1)
Weight, g/mol:	269.102508
ΔH_f, kcal/mol:	-71.26
Dipole, Da:	3.63
IP(EA), eV:	-8.52(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N'-[(E)-indol-3-ylidenemethyl]-1H-1,2,4-triazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=C/C(=C/NNC(=O)/C(=C\C2=CC=C(C=C2)OC)/NC(=O)C3=CC=CC=C3)/C=CC1=O

DOS

IR

Vibrations