Geometry & MOs

Info

ID:	207936
PubChem CID:	80472365
Reduced:	NO2F3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-213.91
Dipole, Da:	1.02
IP(EA), eV:	-9.21(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bicyclo[3.1.0]hexanyl-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

C1C2C1CC(C2)C(=O)NC3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations