Geometry & MOs

Info

ID:	412809
PubChem CID:	135085738
Reduced:	ILiZnCl2C3H6 (1)
Stoich.:	ABCD2E3F6 (1)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	3.34
IP(EA), eV:	-9.55(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3S)-3-butyloxiran-2-yl]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

[Li+].[CH2-]CCCl.[Cl-].[Zn+]I

DOS

IR

Vibrations