Geometry & MOs

Info

ID:	246161
PubChem CID:	103047638
Reduced:	ClFOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	246.082286
ΔH_f, kcal/mol:	-123.21
Dipole, Da:	2.9
IP(EA), eV:	-9.4(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-fluorophenyl)-2-(methoxymethyl)butan-2-ol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(CC2=C(C=CC(=C2)Cl)F)O)C

DOS

IR

Vibrations