Geometry & MOs

Info

ID:	396901
PubChem CID:	135029407
Reduced:	OC19H20 (1)
Stoich.:	AB19C20 (1)
Weight, g/mol:	237.98546
ΔH_f, kcal/mol:	3.81
Dipole, Da:	1.61
IP(EA), eV:	-8.59(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-6-iodohept-5-enal

Drug info:

PubChemData

Smile

CC1CCC(=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations