Geometry & MOs

Info

ID:	293768
PubChem CID:	117400866
Reduced:	BrFOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	258.02554
ΔH_f, kcal/mol:	-77.73
Dipole, Da:	2.76
IP(EA), eV:	-9.43(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-ethyl-6-(3-hydroxypropyl)phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1F)CCC=O)C)Br

DOS

IR

Vibrations