Geometry & MOs

Info

ID:	45612
PubChem CID:	10515545
Reduced:	NO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	262.042848
ΔH_f, kcal/mol:	-146.94
Dipole, Da:	5.03
IP(EA), eV:	-9.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4S)-2,3-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methanol

Drug info:

PubChemData

Smile

C1CN2[C@H]([C@@H]1OC(=O)C3=CC=CC=C3)C[C@@H](C2=O)O

DOS

IR

Vibrations