Geometry & MOs

Info

ID:	147549
PubChem CID:	53787205
Reduced:	NO2C14H16 (2)
Stoich.:	AB2C14D16 (2)
Weight, g/mol:	165.115364
ΔH_f, kcal/mol:	-99.96
Dipole, Da:	6.37
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-azabicyclo[2.2.2]oct-2-en-3-yl)propan-2-one

Drug info:

PubChemData

Smile

CC(C)OCCOC1=C(C=C(C=C1)C(=O)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations