Geometry & MOs

Info

ID:	27163
PubChem CID:	817207
Reduced:	O2F3N3C15H18 (1)
Stoich.:	A2B3C3D15E18 (1)
Weight, g/mol:	204.101111
ΔH_f, kcal/mol:	-201.31
Dipole, Da:	6.69
IP(EA), eV:	-8.52(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R)-9,10-dimethyl-1,5,7,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),7-trien-6-one

Drug info:

PubChemData

Smile

CCC1=NN([C@@](C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations