Geometry & MOs

Info

ID:	297471
PubChem CID:	117618597
Reduced:	NF2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-197.85
Dipole, Da:	5.02
IP(EA), eV:	-10.07(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-(3-methylphenyl)-1-pyridin-2-ylpropan-1-ol

Drug info:

PubChemData

Smile

C[C@](C1=CC=CC=N1)([C@H](CCC(C)(F)F)O)O

DOS

IR

Vibrations