Geometry & MOs

Info

ID:	376313
PubChem CID:	134222323
Reduced:	NOF3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	486.142977
ΔH_f, kcal/mol:	-117.68
Dipole, Da:	5.21
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-pentylphenyl)benzene

Drug info:

PubChemData

Smile

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)OCF)F

DOS

IR

Vibrations