Geometry & MOs

Info

ID:	392010
PubChem CID:	135011929
Reduced:	NO6C15H21 (1)
Stoich.:	AB6C15D21 (1)
Weight, g/mol:	158.147079
ΔH_f, kcal/mol:	-249.44
Dipole, Da:	4.42
IP(EA), eV:	-9.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane

Drug info:

PubChemData

Smile

CC1=C([C@]2(CO[C@@H](N2C1=O)C(C)(C)C)C(=O)OC)OC(=O)C

DOS

IR

Vibrations