Geometry & MOs

Info

ID:	246165
PubChem CID:	103047745
Reduced:	ClFNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	245.09827
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	2.39
IP(EA), eV:	-9.28(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-[(5-chloro-2-fluorophenyl)methyl]-3-methylbutan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations