Geometry & MOs

Info

ID:	48147
PubChem CID:	10537490
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	231.017642
ΔH_f, kcal/mol:	-146.19
Dipole, Da:	5.33
IP(EA), eV:	-10.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(E)-prop-1-enyl]-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene

Drug info:

PubChemData

Smile

CCCC(CCC)(C(C)[N+](=O)[O-])OC(=O)C

DOS

IR

Vibrations