Geometry & MOs

Info

ID:	160183
PubChem CID:	57304940
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	448.232185
ΔH_f, kcal/mol:	27.06
Dipole, Da:	3.73
IP(EA), eV:	-8.94(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-amino-3-[(1,3-dioxoisoindol-2-yl)methyl]-5-(propan-2-ylcarbamoyloxy)pentyl] N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCCCCC(C#N)C#N

DOS

IR

Vibrations