Geometry & MOs

Info

ID:	380880
PubChem CID:	134971462
Reduced:	O3C33H52 (1)
Stoich.:	A3B33C52 (1)
Weight, g/mol:	552.14254
ΔH_f, kcal/mol:	-149.82
Dipole, Da:	2.99
IP(EA), eV:	-9.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dibromo-2-(4-methylphenyl)-3-pentadecylphenol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=C(C(=C(C=C1)C#CC(C)(CC)O)O)C#CC(C)(CC)O

DOS

IR

Vibrations