Geometry & MOs

Info

ID:	151311
PubChem CID:	53801046
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	562.398623
ΔH_f, kcal/mol:	21.39
Dipole, Da:	2.35
IP(EA), eV:	-8.73(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-octylphenyl)benzene

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=NC(=C3C=CN=C3N2N1)C

DOS

IR

Vibrations