Geometry & MOs

Info

ID:	202613
PubChem CID:	79698798
Reduced:	ClO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	291.163457
ΔH_f, kcal/mol:	-84.21
Dipole, Da:	1.5
IP(EA), eV:	-9.12(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-5-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)CCC(=O)C1=CC(=C(C=C1)Cl)OC

DOS

IR

Vibrations