Geometry & MOs

Info

ID:	191418
PubChem CID:	78144801
Reduced:	O3N5F6H15C18 (1)
Stoich.:	A3B5C6D15E18 (1)
Weight, g/mol:	327.219829
ΔH_f, kcal/mol:	-333.37
Dipole, Da:	5.75
IP(EA), eV:	-9.21(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9-tert-butyl-5-cyclopropyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]quinolin-6-yl)ethanone

Drug info:

PubChemData

Smile

C1C(OC(=NC1(CF)C2=C(C=CC(=C2)NC(=O)C3=CN=C(C=N3)OCF)F)N)C(F)(F)F

DOS

IR

Vibrations