Geometry & MOs

Info

ID:	29475
PubChem CID:	834079
Reduced:	FNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	331.02079
ΔH_f, kcal/mol:	-51.12
Dipole, Da:	2.97
IP(EA), eV:	-8.69(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7R)-4-(3-bromo-4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C1CCC(C1)NCC2=CC=CC=C2OCC3=CC=CC=C3F

DOS

IR

Vibrations