Geometry & MOs

Info

ID:	383974
PubChem CID:	134976094
Reduced:	BrMgNH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	29.77
Dipole, Da:	3.17
IP(EA), eV:	-8.71(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[(2S,3R)-2-phenyloxetan-3-yl]hex-4-en-1-ol

Drug info:

PubChemData

Smile

CC1C([N-]1)(C2=CC=CC=C2)C3=CC=CC=C3.[Mg+2].[Br-]

DOS

IR

Vibrations