Geometry & MOs

Info

ID:	260941
PubChem CID:	103210418
Reduced:	O2F3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	479.89887
ΔH_f, kcal/mol:	-255.83
Dipole, Da:	3.85
IP(EA), eV:	-9.09(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3-chloro-4-iodophenyl)methanol

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)CC)C(COCC(F)(F)F)O)CC

DOS

IR

Vibrations