Geometry & MOs

Info

ID:	411667
PubChem CID:	135084501
Reduced:	O2C7H14 (1)
Stoich.:	A2B7C14 (1)
Weight, g/mol:	287.94697
ΔH_f, kcal/mol:	-96.08
Dipole, Da:	1.67
IP(EA), eV:	-9.13(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-3-(prop-1-ynylsulfanylmethyl)benzene

Drug info:

PubChemData

Smile

CC(C)/C(=C/CO)/OC

DOS

IR

Vibrations