Geometry & MOs

Info

ID:	407455
PubChem CID:	135080171
Reduced:	OBr2N3H7C12 (1)
Stoich.:	AB2C3D7E12 (1)
Weight, g/mol:	172.126343
ΔH_f, kcal/mol:	45.07
Dipole, Da:	3.0
IP(EA), eV:	-9.44(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-cyclohexyl-2-fluorobut-3-en-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC=C3C(=C2)C(C(=O)N3)(Br)Br

DOS

IR

Vibrations