Geometry & MOs

Info

ID:	287124
PubChem CID:	104233646
Reduced:	FOSN3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	216.071721
ΔH_f, kcal/mol:	-26.81
Dipole, Da:	6.83
IP(EA), eV:	-9.05(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorobutan-2-yl)-1-fluoro-3-methoxybenzene

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=C(N=NS1)C2=C(C=CC=C2F)OC

DOS

IR

Vibrations