Geometry & MOs

Info

ID:	246164
PubChem CID:	103047744
Reduced:	ClFNOC11H15 (1)
Stoich.:	ABCDE11F15 (1)
Weight, g/mol:	245.09827
ΔH_f, kcal/mol:	-99.25
Dipole, Da:	2.61
IP(EA), eV:	-9.42(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations