Geometry & MOs

Info

ID:	246166
PubChem CID:	103047746
Reduced:	ClFNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	243.08262
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	2.28
IP(EA), eV:	-9.21(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-2-ol

Drug info:

PubChemData

Smile

CC(C)C(CC1=C(C=CC(=C1)Cl)F)(CN)O

DOS

IR

Vibrations