Geometry & MOs

Info

ID:	430259
PubChem CID:	135170323
Reduced:	NC12H18 (2)
Stoich.:	AB12C18 (2)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	4.39
IP(EA), eV:	-8.33(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,7R)-9-(4-methylphenyl)sulfonyl-4,11-diazatricyclo[5.3.1.02,6]undecane

Drug info:

PubChemData

Smile

CCN/C(=C\1/CC(N=C1C2=CC=C(C=C2)CC(C)C)(C)C)/C3CCCC3

DOS

IR

Vibrations