Geometry & MOs

Info

ID:	322126
PubChem CID:	126668770
Reduced:	ClSF3O3N6C30H30 (1)
Stoich.:	ABC3D3E6F30G30 (1)
Weight, g/mol:	154.110613
ΔH_f, kcal/mol:	-169.8
Dipole, Da:	3.86
IP(EA), eV:	-8.58(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4,9-diazatricyclo[4.3.1.03,8]decan-2-ol

Drug info:

PubChemData

Smile

CCCC1=C(C=C(C=C1)C)N/C(=N/C(=O)NC2=C(C=C(C=C2)OCC3=NN(C=N3)C4=CC=C(C=C4)OC(F)(F)F)Cl)/SCC

DOS

IR

Vibrations