Geometry & MOs

Info

ID:	84680
PubChem CID:	49869291
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	353.190341
ΔH_f, kcal/mol:	-51.14
Dipole, Da:	4.51
IP(EA), eV:	-8.71(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3-fluoro-4-methoxyphenyl)pyridin-3-yl]-1,4-diazatricyclo[4.3.1.13,8]undecane

Drug info:

PubChemData

Smile

C1C2CC3CN(C2)CC1CN3C(=O)C4=CC=CO4

DOS

IR

Vibrations