Geometry & MOs

Info

ID:	83536
PubChem CID:	49857715
Reduced:	ClFN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	3.22
IP(EA), eV:	-9.31(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-phenylmethoxyphenyl)propane-1,3-diol

Drug info:

PubChemData

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C1[C@@H]2[C@@H](C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1.Cl

DOS

IR

Vibrations