Geometry & MOs

Info

ID:	180527
PubChem CID:	76648996
Reduced:	OC11H22 (1)
Stoich.:	AB11C22 (1)
Weight, g/mol:	387.03314
ΔH_f, kcal/mol:	-85.09
Dipole, Da:	1.97
IP(EA), eV:	-9.62(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-iodophenyl)-3-(pent-4-enoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)C=CCCCC(C)(C)O

DOS

IR

Vibrations