Geometry & MOs

Info

ID:	383257
PubChem CID:	134974882
Reduced:	ON2F3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	272.198759
ΔH_f, kcal/mol:	-154.63
Dipole, Da:	5.74
IP(EA), eV:	-8.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(7S)-1-butyl-5-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-7-yl]methanol

Drug info:

PubChemData

Smile

CC1CCCC(N1/N=C(\C)/C(=O)/C=C(\C2=CC=CC=C2)/C(F)(F)F)C

DOS

IR

Vibrations