Geometry & MOs

Info

ID:	150943
PubChem CID:	53790640
Reduced:	PN6O9C15H21 (1)
Stoich.:	AB6C9D15E21 (1)
Weight, g/mol:	400.070955
ΔH_f, kcal/mol:	-393.05
Dipole, Da:	4.83
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3C(C(C(O3)CP(=O)(O)OC(=O)C(CCC(=O)O)N)O)O)N

DOS

IR

Vibrations