Geometry & MOs

Info

ID:	226957
PubChem CID:	87559227
Reduced:	BPF4C7H14 (2)
Stoich.:	ABC4D7E14 (2)
Weight, g/mol:	732.068646
ΔH_f, kcal/mol:	-778.2
Dipole, Da:	14.65
IP(EA), eV:	-9.44(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-1-ol;(2,3,5,6-tetrafluoro-4-methylphenyl)methanol;zirconium

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C[C@@H]1CC[C@H](P1C(C)P2[C@@H](CC[C@H]2C)C)C

DOS

IR

Vibrations