Geometry & MOs

Info

ID:	159245
PubChem CID:	57266949
Reduced:	N5C19H21 (1)
Stoich.:	A5B19C21 (1)
Weight, g/mol:	354.993277
ΔH_f, kcal/mol:	118.88
Dipole, Da:	5.22
IP(EA), eV:	-8.34(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2H-triazol-4-yl)naphthalene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CN(C3=C(C2N)C=NN3)C4=CC=CC=CC4

DOS

IR

Vibrations