Geometry & MOs

Info

ID:	329352
PubChem CID:	126735140
Reduced:	FON2C21H27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-65.71
Dipole, Da:	2.46
IP(EA), eV:	-8.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(2,3-dihydrobenzotriazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCCN2CC(CC3=CNC4=C3C=C(C=C4)F)C=O

DOS

IR

Vibrations