Geometry & MOs

Info

ID:	441454
PubChem CID:	135234716
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	662.596159
ΔH_f, kcal/mol:	-29.59
Dipole, Da:	8.74
IP(EA), eV:	-8.77(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonyl 8-[2-cyanoethyl-(8-oxo-8-tridecan-7-yloxyoctyl)amino]octanoate

Drug info:

PubChemData

Smile

CN(CCN)CC1=C(NN=C1)C2=CC=C(C=C2)NC(=O)CCOC

DOS

IR

Vibrations