Geometry & MOs

Info

ID:	397993
PubChem CID:	135031294
Reduced:	NCl3O3C15H18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-150.14
Dipole, Da:	1.31
IP(EA), eV:	-9.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-14,14-dimethyl-13,15-dioxatetracyclo[7.6.1.01,12.03,8]hexadeca-3,5,7-trien-16-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@](CCN1C(=O)OCC2=CC=CC=C2)(C(Cl)(Cl)Cl)O

DOS

IR

Vibrations