Geometry & MOs

Info

ID:	394769
PubChem CID:	135023722
Reduced:	ClOF3H8C15 (1)
Stoich.:	ABC3D8E15 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-139.52
Dipole, Da:	2.52
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6R,7R,8R,12E)-3,13-dimethyl-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-9-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C3=CC=CC=C3Cl)C(F)(F)F

DOS

IR

Vibrations