Geometry & MOs

Info

ID:	430161
PubChem CID:	135170224
Reduced:	NC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	232.10342
ΔH_f, kcal/mol:	7.98
Dipole, Da:	0.26
IP(EA), eV:	-8.44(2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-phenylsulfanyl-4,8-diazatricyclo[5.1.1.02,6]nonane

Drug info:

PubChemData

Smile

CN1C[C@@H]2[C@H](C1)C3CCC2N3C

DOS

IR

Vibrations