Geometry & MOs

Info

ID:	145284
PubChem CID:	53492851
Reduced:	ON5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	512.108323
ΔH_f, kcal/mol:	62.35
Dipole, Da:	5.51
IP(EA), eV:	-9.23(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)-1-[5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

C[C@]12CC1C3(C4=C(C2)C=CC(=C4)C5=CN=CN=C5)C(=O)N(C(=N3)N)C

DOS

IR

Vibrations