Geometry & MOs

Info

ID:

38117

PubChem CID:

8027150

Reduced:

SO2N4C9H11 (1)

Stoich.:

AB2C4D9E11 (1)

Weight, g/mol:

174.07797

ΔHf, kcal/mol:

29.23

Dipole, Da:

7.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.009421

Charge, e:

 -1

Chem-info

IUPAC name:

4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NOC(=N2)C(=O)NCC[NH3+]

DOS

IR

Vibrations