Geometry & MOs

Info

ID:	263761
PubChem CID:	103395954
Reduced:	BrFO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	322.01353
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	5.41
IP(EA), eV:	-8.92(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-5-(1-chloro-3-methylpentyl)-2-fluoro-4-methoxybenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(C2=CC(=C(C=C2OC)F)Br)O

DOS

IR

Vibrations