Geometry & MOs

Info

ID:	393927
PubChem CID:	135021967
Reduced:	ClON2H17C21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	17.02
Dipole, Da:	1.52
IP(EA), eV:	-8.79(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenyl-2-azabicyclo[3.3.1]non-2-en-1-yl) acetate

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC1=O)C3=C(C=C2)N=C(C(=C3)C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations