Geometry & MOs

Info

ID:	258871
PubChem CID:	103157298
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	288.204907
ΔH_f, kcal/mol:	-123.46
Dipole, Da:	3.05
IP(EA), eV:	-8.34(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-aminoethyl)heptanoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCC(CC2CCCC2)O)OC

DOS

IR

Vibrations