Geometry & MOs

Info

ID:

395645

PubChem CID:

135026083

Reduced:

NC6H6 (3)

Stoich.:

AB6C6 (3)

Weight, g/mol:

382.05282

ΔHf, kcal/mol:

155.74

Dipole, Da:

3.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.842694

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[2-bromo-1-(2,5-dioxopyrrolidin-1-yl)-2-methylpropyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCCCCN(C2=CC=CC=C2)[N+]#N

DOS

IR

Vibrations