Geometry & MOs

Info

ID:	161651
PubChem CID:	57392255
Reduced:	ClFO3N4H12C15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	456.01226
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	5.54
IP(EA), eV:	-9.43(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-(3-bromo-5-butyl-2-hydroxyphenyl)-4-butylphenol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)Cl)CC3=NNN=C3

DOS

IR

Vibrations