Geometry & MOs

Info

ID:

13761

PubChem CID:

397954

Reduced:

NSC14H16 (1)

Stoich.:

ABC14D16 (1)

Weight, g/mol:

230.100346

ΔHf, kcal/mol:

36.22

Dipole, Da:

2.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.182334

Charge, e:

 1

Chem-info

IUPAC name:

6,7,8,10,10a,11-hexahydro-5H-[1]benzothiolo[5,6-a]indolizin-9-ium

Drug info:

PubChemData

Smile

C1CC[N+]2=C(C1)C3=CC4=C(CC3C2)SC=C4

DOS

IR

Vibrations