Geometry & MOs

Info

ID:

193894

PubChem CID:

78451876

Reduced:

NC13H20 (1)

Stoich.:

AB13C20 (1)

Weight, g/mol:

171.070443

ΔHf, kcal/mol:

9.59

Dipole, Da:

2.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.122932

Charge, e:

 1

Chem-info

IUPAC name:

5-pyrrolidin-1-ium-2-yl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2CCC[NH2+]2

DOS

IR

Vibrations