Geometry & MOs

Info

ID:	299731
PubChem CID:	117688930
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	184.071114
ΔH_f, kcal/mol:	-199.69
Dipole, Da:	2.9
IP(EA), eV:	-9.49(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(trifluoromethyl)oxan-3-yl]methanol

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C(=O)OC)NCCC(=O)OC

DOS

IR

Vibrations