Geometry & MOs

Info

ID:	49001
PubChem CID:	11528601
Reduced:	FNH12C14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	55.45
Dipole, Da:	3.06
IP(EA), eV:	-8.74(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropan-1-ol

Drug info:

PubChemData

Smile

CN1C=CC=C1C(C#C)C2=CC=C(C=C2)F

DOS

IR

Vibrations