Geometry & MOs

Info

ID:	425603
PubChem CID:	135126926
Reduced:	NOC6H13 (1)
Stoich.:	ABC6D13 (1)
Weight, g/mol:	296.163243
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	2.83
IP(EA), eV:	-9.43(2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,12,14-trimethyltetracyclo[5.5.2.02,6.04,10]tetradecane-8,10-dithiol

Drug info:

PubChemData

Smile

CC[C@@H]1CCNC1O

DOS

IR

Vibrations