Geometry & MOs

Info

ID:	287321
PubChem CID:	104235082
Reduced:	FO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	222.105608
ΔH_f, kcal/mol:	-83.94
Dipole, Da:	4.92
IP(EA), eV:	-9.41(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-pent-4-ynoxyphenyl)ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCC(=O)NCCC#N)F)N

DOS

IR

Vibrations