Geometry & MOs

Info

ID:	378998
PubChem CID:	134228811
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	281.99055
ΔH_f, kcal/mol:	-49.74
Dipole, Da:	6.87
IP(EA), eV:	-9.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-iodoprop-2-ynyl)-2-prop-2-enylbenzene

Drug info:

PubChemData

Smile

CC(C)/C(=C(/C)\C(=O)O)/N=C(C)C1=CN=CC=C1

DOS

IR

Vibrations