Geometry & MOs

Info

ID:	258606
PubChem CID:	103155567
Reduced:	O2F3N3C11H20 (1)
Stoich.:	A2B3C3D11E20 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-253.37
Dipole, Da:	4.1
IP(EA), eV:	-9.28(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCN(CC1)CC(F)(F)F)CN

DOS

IR

Vibrations