Geometry & MOs

Info

ID:	127934
PubChem CID:	51023543
Reduced:	F3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	360.248687
ΔH_f, kcal/mol:	-277.93
Dipole, Da:	2.5
IP(EA), eV:	-9.9(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S)-2-[5-(cyclopenten-1-yl)-4,4-dimethylpent-1-ynoxy]-7,7-dimethyl-1-(methylsulfanylmethyl)bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCC[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1OC(=O)[C@@](C3=CC=CC=C3)(C(F)(F)F)OC

DOS

IR

Vibrations