Geometry & MOs

Info

ID:	181591
PubChem CID:	76764250
Reduced:	FO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	-167.75
Dipole, Da:	0.95
IP(EA), eV:	-9.11(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-ethynylpyrimidin-5-yl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=C(O[C@@H](O1)C2=CC=C(C=C2)F)C(=O)OC

DOS

IR

Vibrations