Geometry & MOs

Info

ID:	228001
PubChem CID:	87563205
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	616.12741
ΔH_f, kcal/mol:	17.49
Dipole, Da:	3.1
IP(EA), eV:	-9.26(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1-(2,3,4-trifluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=CC(=C2)C(=O)NOC

DOS

IR

Vibrations