Geometry & MOs

Info

ID:	406903
PubChem CID:	135078883
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	225.095378
ΔH_f, kcal/mol:	-26.94
Dipole, Da:	1.91
IP(EA), eV:	-7.98(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)prop-2-ynyl]aniline

Drug info:

PubChemData

Smile

CN1C(=CC2=C1C=C(C=C2)OC)COCC=C

DOS

IR

Vibrations