Geometry & MOs

Info

ID:	435215
PubChem CID:	135184813
Reduced:	N2O6H10C11 (1)
Stoich.:	A2B6C10D11 (1)
Weight, g/mol:	210.141993
ΔH_f, kcal/mol:	-200.05
Dipole, Da:	6.73
IP(EA), eV:	-10.16(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-(4-fluoro-2-methylphenyl)-4-methylpentan-2-ol

Drug info:

PubChemData

Smile

CC(C(=O)O)N1C(=O)C2=NC=CC(=C2OC1=O)OC

DOS

IR

Vibrations