Geometry & MOs

Info

ID:	265659
PubChem CID:	103537571
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-62.82
Dipole, Da:	3.31
IP(EA), eV:	-8.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-fluorophenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

COC1CCN(C1)CCOC2=CC=CC(=C2)C#CCCO

DOS

IR

Vibrations