Geometry & MOs

Info

ID:	405853
PubChem CID:	135075726
Reduced:	INOC13H22 (1)
Stoich.:	ABCD13E22 (1)
Weight, g/mol:	273.98546
ΔH_f, kcal/mol:	-67.62
Dipole, Da:	4.91
IP(EA), eV:	-9.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]([C@@H]2CCCN([C@@H]2C1)C(=O)C)CI

DOS

IR

Vibrations