Geometry & MOs

Info

ID:	408243
PubChem CID:	135081005
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	269.99055
ΔH_f, kcal/mol:	-0.32
Dipole, Da:	4.0
IP(EA), eV:	-9.94(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-iodoethynyl)-4-propylbenzene

Drug info:

PubChemData

Smile

CC(=O)CC(C)(C#N)C1=CC=CC=C1

DOS

IR

Vibrations