Geometry & MOs

Info

ID:	132707
PubChem CID:	51404308
Reduced:	ON4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	417.074593
ΔH_f, kcal/mol:	151.21
Dipole, Da:	5.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.811052
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6S,8R,9S)-N-(3,4-dichlorophenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CC([C@](C1(C#N)C#N)(C(=[N-])O2)C#N)(C)C

DOS

IR

Vibrations