Geometry & MOs

Info

ID:

40069

PubChem CID:

8143520

Reduced:

N2O2C13H15 (1)

Stoich.:

A2B2C13D15 (1)

Weight, g/mol:

262.112642

ΔHf, kcal/mol:

-27.26

Dipole, Da:

8.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.776594

Charge, e:

 1

Chem-info

IUPAC name:

1-phenyl-4-(pyrrolidin-1-ium-1-ylmethyl)tetrazole-5-thione

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CN2C3=CC=CC=C3C(=O)C2=O

DOS

IR

Vibrations