Geometry & MOs

Info

ID:	246163
PubChem CID:	103047742
Reduced:	ClFOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	231.08262
ΔH_f, kcal/mol:	-89.32
Dipole, Da:	1.98
IP(EA), eV:	-9.13(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-[(5-chloro-2-fluorophenyl)methyl]butan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(C)(CC2=C(C=CC(=C2)Cl)F)O)C

DOS

IR

Vibrations