Geometry & MOs

Info

ID:	375696
PubChem CID:	134220836
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-11.78
Dipole, Da:	1.89
IP(EA), eV:	-8.31(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-methoxyphenyl)-5-thia-2,6-diazatricyclo[6.2.2.02,7]dodec-6-ene

Drug info:

PubChemData

Smile

CC1CCC(N(C(C1=C)C)C)C

DOS

IR

Vibrations