Geometry & MOs

Info

ID:	225789
PubChem CID:	87226113
Reduced:	NO4C26H33 (1)
Stoich.:	AB4C26D33 (1)
Weight, g/mol:	539.335922
ΔH_f, kcal/mol:	-157.44
Dipole, Da:	6.46
IP(EA), eV:	-8.49(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(naphthalen-1-yloxymethyl)-N'-(oxan-2-yloxy)oct-2-enediamide

Drug info:

PubChemData

Smile

CC(CCC/C=C(/COC1=CC=CC2=CC=CC=C21)\C(=O)NC3CCCCC3)C(=O)O

DOS

IR

Vibrations