Geometry & MOs

Info

ID:	412785
PubChem CID:	135085714
Reduced:	FO5C6H11 (1)
Stoich.:	AB5C6D11 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	-283.16
Dipole, Da:	1.61
IP(EA), eV:	-10.62(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hex-5-en-1-ynyl-4-methoxybenzene

Drug info:

PubChemData

Smile

C(C1[C@@H](C(C([C@H](O1)F)O)O)O)O

DOS

IR

Vibrations