Geometry & MOs

Info

ID:	328829
PubChem CID:	126728325
Reduced:	SO3N6C28H28 (1)
Stoich.:	AB3C6D28E28 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-12.24
Dipole, Da:	6.05
IP(EA), eV:	-8.88(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-2-[(E)-oct-3-enoxy]acetamide

Drug info:

PubChemData

Smile

C1CC(CCC1NCC2=C(N=CC=C2)C3=CC4=CC=CC=C4O3)NC5=NC=CC(=N5)/C=C\6/C(NC(=O)S6)O

DOS

IR

Vibrations