Geometry & MOs

Info

ID:	85486
PubChem CID:	49875811
Reduced:	SN4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	94.62
Dipole, Da:	3.45
IP(EA), eV:	-8.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-prop-2-enyl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(N3CCCN3C2=S)C4=CN=CC=C4

DOS

IR

Vibrations