Geometry & MOs

Info

ID:	256024
PubChem CID:	103136443
Reduced:	ClN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	264.116173
ΔH_f, kcal/mol:	61.07
Dipole, Da:	3.25
IP(EA), eV:	-9.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CCNC(C1=CC=C(C=C1)Cl)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations