Geometry & MOs

Info

ID:	380104
PubChem CID:	134965011
Reduced:	BrF3H10C14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	182.167065
ΔH_f, kcal/mol:	-119.62
Dipole, Da:	3.3
IP(EA), eV:	-9.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=CC(=CC=C2)C(F)(F)F)Br

DOS

IR

Vibrations