Geometry & MOs

Info

ID:	399078
PubChem CID:	135037532
Reduced:	OC2H3 (6)
Stoich.:	AB2C3 (6)
Weight, g/mol:	187.079727
ΔH_f, kcal/mol:	-267.24
Dipole, Da:	3.15
IP(EA), eV:	-10.22(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenyl)hex-4-ynenitrile

Drug info:

PubChemData

Smile

CCO[C@@H]1C=C[C@@H](C(O1)COC(=O)C)OC(=O)C

DOS

IR

Vibrations