Geometry & MOs

Info

ID:

150682

PubChem CID:

53790376

Reduced:

NO2C15H26 (1)

Stoich.:

AB2C15D26 (1)

Weight, g/mol:

167.131014

ΔHf, kcal/mol:

-41.29

Dipole, Da:

4.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.071688

Charge, e:

 0

Chem-info

IUPAC name:

3-(7-azabicyclo[2.2.1]heptan-7-yl)butan-2-one

Drug info:

PubChemData

Smile

CC[N+](CCOC)(CCOC)CC1=CC=CC=C1

DOS

IR

Vibrations