Geometry & MOs

Info

ID:	127933
PubChem CID:	51023512
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	398.206879
ΔH_f, kcal/mol:	-194.22
Dipole, Da:	4.01
IP(EA), eV:	-9.49(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3S,5R)-6,6-dimethyl-2-propyl-3-bicyclo[3.1.1]heptanyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)OC(=O)C1=CC[C@H]2C=C[C@@H]1N(C2=O)C

DOS

IR

Vibrations