Geometry & MOs

Info

ID:	202990
PubChem CID:	79758922
Reduced:	OF2N2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	294.15437
ΔH_f, kcal/mol:	-135.66
Dipole, Da:	4.37
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-amino-2,6-difluorophenyl)methanone

Drug info:

PubChemData

Smile

C1CCC2CN(CCC2C1)C(=O)C3=C(C=CC(=C3F)N)F

DOS

IR

Vibrations