Geometry & MOs

Info

ID:	306143
PubChem CID:	125001736
Reduced:	O2N6C15H16 (1)
Stoich.:	A2B6C15D16 (1)
Weight, g/mol:	359.226057
ΔH_f, kcal/mol:	25.62
Dipole, Da:	9.18
IP(EA), eV:	-8.86(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,5S,6S,8R,10R)-5-(2-fluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@@H]2CN(CCO2)C(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations