Geometry & MOs

Info

ID:	24796
PubChem CID:	613501
Reduced:	ON4H10C13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	238.085461
ΔH_f, kcal/mol:	75.98
Dipole, Da:	5.34
IP(EA), eV:	-8.93(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-1,2,4-triazol-5-yliminomethyl)naphthalen-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2C=NC3=NC=NN3)O

DOS

IR

Vibrations