Geometry & MOs

Info

ID:	225786
PubChem CID:	87226087
Reduced:	BrOSiC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	605.346486
ΔH_f, kcal/mol:	16.83
Dipole, Da:	4.17
IP(EA), eV:	-7.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(naphthalen-1-yloxymethyl)-N'-(oxan-2-yloxy)oct-2-enediamide

Drug info:

PubChemData

Smile

CC(CC=C)(CC=C)O[Si]C1=CC=C(C=C1)/C=C/Br

DOS

IR

Vibrations