Geometry & MOs

Info

ID:	376274
PubChem CID:	134222284
Reduced:	ClF2N2O10H29C30 (1)
Stoich.:	AB2C2D10E29F30 (1)
Weight, g/mol:	360.113728
ΔH_f, kcal/mol:	-479.49
Dipole, Da:	4.33
IP(EA), eV:	-8.74(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenol

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)N(C2=CC=C(C=C2)OC(C)(F)F)C3=NC4=C(C=CC=C4Cl)C=C3)C(=O)OC)OC(=O)C

DOS

IR

Vibrations