Geometry & MOs

Info

ID:	383302
PubChem CID:	134974944
Reduced:	SnO4C39H54 (1)
Stoich.:	AB4C39D54 (1)
Weight, g/mol:	222.209599
ΔH_f, kcal/mol:	-111.1
Dipole, Da:	2.35
IP(EA), eV:	-8.82(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12S)-1,9-diazatricyclo[10.4.0.04,9]hexadecane

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C1=C[C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations