Geometry & MOs

Info

ID:	221145
PubChem CID:	85256996
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	284.028044
ΔH_f, kcal/mol:	-46.94
Dipole, Da:	5.61
IP(EA), eV:	-9.2(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,8,10-pentaene-7-thione

Drug info:

PubChemData

Smile

C=CCC(CC=C)(C1CCC(=O)N1CC2=CC=CC=C2)O

DOS

IR

Vibrations