Geometry & MOs

Info

ID:	45310
PubChem CID:	10510988
Reduced:	OC4H9 (2)
Stoich.:	AB4C9 (2)
Weight, g/mol:	149.064077
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	0.45
IP(EA), eV:	-9.59(2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-fluorophenyl)prop-2-yn-1-amine

Drug info:

PubChemData

Smile

C[C@H](CO)[C@H](C(C)C)OC

DOS

IR

Vibrations